data_PRDCC_001099
# 
_chem_comp.id                                    PRD_001099 
_chem_comp.name                                  "CD4-MIMETIC MINIPROTEIN M48U7" 
_chem_comp.formula                               "C131 H214 N38 O33 S6" 
_chem_comp.formula_weight                        3041.726 
_chem_comp.pdbx_release_status                   REF_ONLY 
_chem_comp.type                                  peptide-like 
_chem_comp.pdbx_type                             ? 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    ? 
_chem_comp.pdbx_initial_date                     ? 
_chem_comp.pdbx_modified_date                    ? 
_chem_comp.pdbx_ambiguous_flag                   ? 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     ? 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   ? 
_chem_comp.pdbx_ideal_coordinates_details        ? 
_chem_comp.pdbx_ideal_coordinates_missing_flag   ? 
_chem_comp.pdbx_model_coordinates_db_code        ? 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_pcm                              ? 
_chem_comp.pdbx_processing_site                  ? 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_align 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.model_Cartn_x 
_chem_comp_atom.model_Cartn_y 
_chem_comp_atom.model_Cartn_z 
_chem_comp_atom.pdbx_model_Cartn_x_ideal 
_chem_comp_atom.pdbx_model_Cartn_y_ideal 
_chem_comp_atom.pdbx_model_Cartn_z_ideal 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_residue_numbering 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_polymer_type 
_chem_comp_atom.pdbx_ref_id 
_chem_comp_atom.pdbx_component_id 
_chem_comp_atom.pdbx_ordinal 
_chem_comp_atom.pdbx_backbone_atom_flag 
_chem_comp_atom.pdbx_n_terminal_atom_flag 
_chem_comp_atom.pdbx_c_terminal_atom_flag 
PRD_001099 C1   C1   C 0 1 N N N -14.811 34.686 14.127 11.519  0.828   4.177   MPT 1  CA   polymer 1 1 1   ? ? ? 
PRD_001099 C2   C2   C 0 1 N N N -15.171 35.669 15.251 10.937  1.251   5.500   MPT 1  C    polymer 1 1 2   ? ? ? 
PRD_001099 O1   O1   O 0 1 N N N -13.971 35.974 15.907 10.549  0.411   6.284   MPT 1  O    polymer 1 1 3   ? ? ? 
PRD_001099 C3   C3   C 0 1 N N N -16.068 33.912 13.798 11.322  -0.676  3.995   MPT 1  CB   polymer 1 1 4   ? ? ? 
PRD_001099 S1   S1   S 0 1 N N N -16.707 33.225 15.349 11.885  -1.175  2.343   MPT 1  SG   polymer 1 1 5   ? ? ? 
PRD_001099 N1   N1   N 0 1 N N N -16.076 36.626 15.067 10.845  2.556   5.817   ASN 2  N    polymer 1 1 6   ? ? ? 
PRD_001099 C4   C4   C 0 1 N N S -16.633 37.187 16.291 10.269  2.953   7.104   ASN 2  CA   polymer 1 1 7   ? ? ? 
PRD_001099 C5   C5   C 0 1 N N N -17.672 36.251 16.911 9.497   4.234   6.944   ASN 2  C    polymer 1 1 8   ? ? ? 
PRD_001099 O2   O2   O 0 1 N N N -18.832 36.226 16.494 9.738   4.972   6.012   ASN 2  O    polymer 1 1 9   ? ? ? 
PRD_001099 C6   C6   C 0 1 N N N -17.232 38.569 16.009 11.391  3.159   8.123   ASN 2  CB   polymer 1 1 10  ? ? ? 
PRD_001099 C7   C7   C 0 1 N N N -16.204 39.688 16.120 12.351  4.200   7.608   ASN 2  CG   polymer 1 1 11  ? ? ? 
PRD_001099 O3   O3   O 0 1 N N N -15.373 39.695 17.029 12.117  4.780   6.569   ASN 2  OD1  polymer 1 1 12  ? ? ? 
PRD_001099 N2   N2   N 0 1 N N N -16.254 40.637 15.190 13.470  4.487   8.302   ASN 2  ND2  polymer 1 1 13  ? ? ? 
PRD_001099 N3   N3   N 0 1 N N N -17.238 35.503 17.925 8.540   4.564   7.829   LEU 3  N    polymer 1 1 14  ? ? ? 
PRD_001099 C8   C8   C 0 1 N N S -17.987 34.370 18.468 7.789   5.813   7.670   LEU 3  CA   polymer 1 1 15  ? ? ? 
PRD_001099 C9   C9   C 0 1 N N N -19.329 34.760 19.069 6.327   5.502   7.491   LEU 3  C    polymer 1 1 16  ? ? ? 
PRD_001099 O4   O4   O 0 1 N N N -20.231 33.932 19.190 5.920   4.377   7.692   LEU 3  O    polymer 1 1 17  ? ? ? 
PRD_001099 C10  C10  C 0 1 N N N -17.157 33.691 19.557 8.305   6.565   6.442   LEU 3  CB   polymer 1 1 18  ? ? ? 
PRD_001099 C11  C11  C 0 1 N N N -17.796 32.459 20.199 9.707   7.107   6.727   LEU 3  CG   polymer 1 1 19  ? ? ? 
PRD_001099 C12  C12  C 0 1 N N N -18.021 31.385 19.152 10.296  7.697   5.444   LEU 3  CD1  polymer 1 1 20  ? ? ? 
PRD_001099 C13  C13  C 0 1 N N N -16.947 31.934 21.337 9.624   8.197   7.798   LEU 3  CD2  polymer 1 1 21  ? ? ? 
PRD_001099 N4   N4   N 0 1 N N N -19.459 36.028 19.424 5.466   6.468   7.110   HIS 4  N    polymer 1 1 22  ? ? ? 
PRD_001099 C14  C14  C 0 1 N N S -20.560 36.481 20.256 4.044   6.143   6.943   HIS 4  CA   polymer 1 1 23  ? ? ? 
PRD_001099 C15  C15  C 0 1 N N N -21.729 36.971 19.422 3.422   7.081   5.942   HIS 4  C    polymer 1 1 24  ? ? ? 
PRD_001099 O5   O5   O 0 1 N N N -22.876 36.624 19.692 3.961   8.136   5.681   HIS 4  O    polymer 1 1 25  ? ? ? 
PRD_001099 C16  C16  C 0 1 N N N -20.054 37.583 21.174 3.329   6.286   8.288   HIS 4  CB   polymer 1 1 26  ? ? ? 
PRD_001099 C17  C17  C 0 1 Y N N -21.133 38.269 21.946 3.862   5.259   9.252   HIS 4  CG   polymer 1 1 27  ? ? ? 
PRD_001099 N5   N5   N 1 1 Y N N -21.847 37.645 22.942 4.838   5.454   10.152  HIS 4  ND1  polymer 1 1 28  ? ? ? 
PRD_001099 C18  C18  C 0 1 Y N N -21.620 39.532 21.863 3.439   3.986   9.367   HIS 4  CD2  polymer 1 1 29  ? ? ? 
PRD_001099 C19  C19  C 0 1 Y N N -22.728 38.494 23.448 5.039   4.349   10.816  HIS 4  CE1  polymer 1 1 30  ? ? ? 
PRD_001099 N6   N6   N 0 1 Y N N -22.608 39.642 22.809 4.187   3.407   10.357  HIS 4  NE2  polymer 1 1 31  ? ? ? 
PRD_001099 N7   N7   N 0 1 N N N -21.424 37.791 18.423 2.264   6.745   5.336   PHE 5  N    polymer 1 1 32  ? ? ? 
PRD_001099 C20  C20  C 0 1 N N S -22.388 38.133 17.392 1.644   7.661   4.375   PHE 5  CA   polymer 1 1 33  ? ? ? 
PRD_001099 C21  C21  C 0 1 N N N -22.850 36.823 16.774 0.428   7.010   3.764   PHE 5  C    polymer 1 1 34  ? ? ? 
PRD_001099 O6   O6   O 0 1 N N N -24.018 36.659 16.426 0.282   5.809   3.839   PHE 5  O    polymer 1 1 35  ? ? ? 
PRD_001099 C22  C22  C 0 1 N N N -21.740 39.016 16.321 2.649   7.999   3.272   PHE 5  CB   polymer 1 1 36  ? ? ? 
PRD_001099 C23  C23  C 0 1 Y N N -21.029 40.230 16.869 3.007   6.745   2.517   PHE 5  CG   polymer 1 1 37  ? ? ? 
PRD_001099 C24  C24  C 0 1 Y N N -21.354 40.746 18.113 2.363   6.444   1.332   PHE 5  CD1  polymer 1 1 38  ? ? ? 
PRD_001099 C25  C25  C 0 1 Y N N -20.032 40.854 16.132 3.983   5.898   3.008   PHE 5  CD2  polymer 1 1 39  ? ? ? 
PRD_001099 C26  C26  C 0 1 Y N N -20.700 41.858 18.614 2.691   5.293   0.639   PHE 5  CE1  polymer 1 1 40  ? ? ? 
PRD_001099 C27  C27  C 0 1 Y N N -19.376 41.968 16.628 4.312   4.747   2.315   PHE 5  CE2  polymer 1 1 41  ? ? ? 
PRD_001099 C28  C28  C 0 1 Y N N -19.711 42.470 17.870 3.664   4.444   1.132   PHE 5  CZ   polymer 1 1 42  ? ? ? 
PRD_001099 N8   N8   N 0 1 N N N -21.916 35.882 16.664 -0.492  7.761   3.138   CYS 6  N    polymer 1 1 43  ? ? ? 
PRD_001099 C29  C29  C 0 1 N N R -22.189 34.569 16.091 -1.682  7.170   2.526   CYS 6  CA   polymer 1 1 44  ? ? ? 
PRD_001099 C30  C30  C 0 1 N N N -23.147 33.750 16.953 -2.638  6.745   3.605   CYS 6  C    polymer 1 1 45  ? ? ? 
PRD_001099 O7   O7   O 0 1 N N N -24.195 33.315 16.478 -2.226  6.574   4.733   CYS 6  O    polymer 1 1 46  ? ? ? 
PRD_001099 C31  C31  C 0 1 N N N -20.879 33.802 15.894 -1.283  5.975   1.660   CYS 6  CB   polymer 1 1 47  ? ? ? 
PRD_001099 S2   S2   S 0 1 N N N -21.076 32.158 15.182 -0.481  6.571   0.146   CYS 6  SG   polymer 1 1 48  ? ? ? 
PRD_001099 N9   N9   N 0 1 N N N -22.783 33.534 18.213 -3.945  6.549   3.342   GLN 7  N    polymer 1 1 49  ? ? ? 
PRD_001099 C32  C32  C 0 1 N N S -23.647 32.809 19.140 -4.900  6.463   4.448   GLN 7  CA   polymer 1 1 50  ? ? ? 
PRD_001099 C33  C33  C 0 1 N N N -24.967 33.547 19.312 -5.739  5.219   4.333   GLN 7  C    polymer 1 1 51  ? ? ? 
PRD_001099 O8   O8   O 0 1 N N N -26.016 32.929 19.463 -5.249  4.186   3.928   GLN 7  O    polymer 1 1 52  ? ? ? 
PRD_001099 C34  C34  C 0 1 N N N -22.963 32.636 20.496 -5.812  7.690   4.423   GLN 7  CB   polymer 1 1 53  ? ? ? 
PRD_001099 C35  C35  C 0 1 N N N -21.915 31.536 20.517 -4.984  8.947   4.697   GLN 7  CG   polymer 1 1 54  ? ? ? 
PRD_001099 C36  C36  C 0 1 N N N -21.095 31.529 21.792 -5.883  10.157  4.672   GLN 7  CD   polymer 1 1 55  ? ? ? 
PRD_001099 O9   O9   O 0 1 N N N -21.063 32.513 22.531 -7.069  10.026  4.457   GLN 7  OE1  polymer 1 1 56  ? ? ? 
PRD_001099 N10  N10  N 0 1 N N N -20.426 30.413 22.057 -5.368  11.383  4.889   GLN 7  NE2  polymer 1 1 57  ? ? ? 
PRD_001099 N11  N11  N 0 1 N N N -24.907 34.873 19.277 -7.043  5.262   4.683   LEU 8  N    polymer 1 1 58  ? ? ? 
PRD_001099 C37  C37  C 0 1 N N S -26.104 35.698 19.383 -7.823  4.027   4.761   LEU 8  CA   polymer 1 1 59  ? ? ? 
PRD_001099 C38  C38  C 0 1 N N N -26.994 35.518 18.157 -8.992  4.088   3.812   LEU 8  C    polymer 1 1 60  ? ? ? 
PRD_001099 O10  O10  O 0 1 N N N -28.213 35.669 18.237 -9.312  5.138   3.298   LEU 8  O    polymer 1 1 61  ? ? ? 
PRD_001099 C39  C39  C 0 1 N N N -25.716 37.168 19.543 -8.338  3.843   6.190   LEU 8  CB   polymer 1 1 62  ? ? ? 
PRD_001099 C40  C40  C 0 1 N N N -26.849 38.183 19.667 -7.155  3.636   7.137   LEU 8  CG   polymer 1 1 63  ? ? ? 
PRD_001099 C41  C41  C 0 1 N N N -27.789 37.803 20.799 -7.660  3.576   8.580   LEU 8  CD1  polymer 1 1 64  ? ? ? 
PRD_001099 C42  C42  C 0 1 N N N -26.273 39.574 19.883 -6.447  2.325   6.789   LEU 8  CD2  polymer 1 1 65  ? ? ? 
PRD_001099 N12  N12  N 0 1 N N N -26.376 35.196 17.024 -9.677  2.958   3.543   ARG 9  N    polymer 1 1 66  ? ? ? 
PRD_001099 C43  C43  C 0 1 N N S -27.105 34.956 15.783 -10.786 2.968   2.585   ARG 9  CA   polymer 1 1 67  ? ? ? 
PRD_001099 C44  C44  C 0 1 N N N -27.630 33.528 15.721 -10.694 1.736   1.720   ARG 9  C    polymer 1 1 68  ? ? ? 
PRD_001099 O11  O11  O 0 1 N N N -28.786 33.299 15.374 -9.634  1.433   1.217   ARG 9  O    polymer 1 1 69  ? ? ? 
PRD_001099 C45  C45  C 0 1 N N N -26.201 35.199 14.575 -10.693 4.218   1.707   ARG 9  CB   polymer 1 1 70  ? ? ? 
PRD_001099 C46  C46  C 0 1 N N N -26.099 36.643 14.127 -11.808 4.190   0.660   ARG 9  CG   polymer 1 1 71  ? ? ? 
PRD_001099 C47  C47  C 0 1 N N N -25.096 36.767 12.994 -11.642 5.375   -0.294  ARG 9  CD   polymer 1 1 72  ? ? ? 
PRD_001099 N13  N13  N 0 1 N N N -25.524 36.015 11.816 -12.710 5.348   -1.296  ARG 9  NE   polymer 1 1 73  ? ? ? 
PRD_001099 C48  C48  C 0 1 N N N -24.710 35.581 10.857 -12.767 6.316   -2.261  ARG 9  CZ   polymer 1 1 74  ? ? ? 
PRD_001099 N14  N14  N 0 1 N N N -23.405 35.810 10.924 -11.851 7.283   -2.290  ARG 9  NH1  polymer 1 1 75  ? ? ? 
PRD_001099 N15  N15  N 1 1 N N N -25.204 34.907 9.828  -13.738 6.292   -3.173  ARG 9  NH2  polymer 1 1 76  ? ? ? 
PRD_001099 N16  N16  N 0 1 N N N -26.770 32.570 16.048 -11.780 0.967   1.503   CYS 10 N    polymer 1 1 77  ? ? ? 
PRD_001099 C49  C49  C 0 1 N N R -27.122 31.160 15.933 -11.630 -0.284  0.748   CYS 10 CA   polymer 1 1 78  ? ? ? 
PRD_001099 C50  C50  C 0 1 N N N -28.184 30.752 16.949 -11.510 -1.431  1.717   CYS 10 C    polymer 1 1 79  ? ? ? 
PRD_001099 O12  O12  O 0 1 N N N -29.014 29.887 16.670 -11.989 -1.336  2.826   CYS 10 O    polymer 1 1 80  ? ? ? 
PRD_001099 C51  C51  C 0 1 N N N -25.876 30.289 16.094 -10.366 -0.210  -0.110  CYS 10 CB   polymer 1 1 81  ? ? ? 
PRD_001099 S3   S3   S 0 1 N N N -24.684 30.456 14.740 -10.444 1.241   -1.194  CYS 10 SG   polymer 1 1 82  ? ? ? 
PRD_001099 N17  N17  N 0 1 N N N -28.160 31.368 18.126 -10.873 -2.563  1.358   LYS 11 N    polymer 1 1 83  ? ? ? 
PRD_001099 C52  C52  C 0 1 N N S -29.136 31.046 19.164 -10.719 -3.661  2.315   LYS 11 CA   polymer 1 1 84  ? ? ? 
PRD_001099 C53  C53  C 0 1 N N N -30.530 31.456 18.712 -9.912  -4.766  1.687   LYS 11 C    polymer 1 1 85  ? ? ? 
PRD_001099 O13  O13  O 0 1 N N N -31.517 30.894 19.167 -9.550  -4.662  0.534   LYS 11 O    polymer 1 1 86  ? ? ? 
PRD_001099 C54  C54  C 0 1 N N N -28.790 31.712 20.498 -12.099 -4.196  2.705   LYS 11 CB   polymer 1 1 87  ? ? ? 
PRD_001099 C55  C55  C 0 1 N N N -29.209 30.892 21.715 -12.774 -4.807  1.475   LYS 11 CG   polymer 1 1 88  ? ? ? 
PRD_001099 C56  C56  C 0 1 N N N -28.343 29.644 21.870 -14.201 -5.227  1.834   LYS 11 CD   polymer 1 1 89  ? ? ? 
PRD_001099 C57  C57  C 0 1 N N N -28.885 28.700 22.930 -14.877 -5.838  0.605   LYS 11 CE   polymer 1 1 90  ? ? ? 
PRD_001099 N18  N18  N 1 1 N N N -28.151 27.404 22.938 -16.247 -6.241  0.949   LYS 11 NZ   polymer 1 1 91  ? ? ? 
PRD_001099 N19  N19  N 0 1 N N N -30.601 32.425 17.803 -9.586  -5.870  2.392   SER 12 N    polymer 1 1 92  ? ? ? 
PRD_001099 C58  C58  C 0 1 N N S -31.873 32.837 17.221 -8.842  -6.943  1.728   SER 12 CA   polymer 1 1 93  ? ? ? 
PRD_001099 C59  C59  C 0 1 N N N -32.320 31.855 16.142 -8.094  -7.771  2.742   SER 12 C    polymer 1 1 94  ? ? ? 
PRD_001099 O14  O14  O 0 1 N N N -33.422 31.970 15.614 -8.234  -7.562  3.928   SER 12 O    polymer 1 1 95  ? ? ? 
PRD_001099 C60  C60  C 0 1 N N N -31.761 34.239 16.622 -7.846  -6.333  0.740   SER 12 CB   polymer 1 1 96  ? ? ? 
PRD_001099 O15  O15  O 0 1 N N N -31.378 35.189 17.601 -7.011  -7.363  0.207   SER 12 OG   polymer 1 1 97  ? ? ? 
PRD_001099 N20  N20  N 0 1 N N N -31.453 30.907 15.799 -7.267  -8.746  2.313   LEU 13 N    polymer 1 1 98  ? ? ? 
PRD_001099 C61  C61  C 0 1 N N S -31.793 29.864 14.835 -6.510  -9.566  3.261   LEU 13 CA   polymer 1 1 99  ? ? ? 
PRD_001099 C62  C62  C 0 1 N N N -32.064 28.543 15.545 -5.226  -10.015 2.609   LEU 13 C    polymer 1 1 100 ? ? ? 
PRD_001099 O16  O16  O 0 1 N N N -32.325 27.523 14.905 -4.864  -9.486  1.579   LEU 13 O    polymer 1 1 101 ? ? ? 
PRD_001099 C63  C63  C 0 1 N N N -30.669 29.694 13.809 -7.340  -10.790 3.655   LEU 13 CB   polymer 1 1 102 ? ? ? 
PRD_001099 C64  C64  C 0 1 N N N -30.737 30.608 12.583 -7.812  -11.513 2.392   LEU 13 CG   polymer 1 1 103 ? ? ? 
PRD_001099 C65  C65  C 0 1 N N N -30.846 32.069 12.984 -6.611  -12.148 1.688   LEU 13 CD1  polymer 1 1 104 ? ? ? 
PRD_001099 C66  C66  C 0 1 N N N -29.518 30.389 11.698 -8.815  -12.604 2.773   LEU 13 CD2  polymer 1 1 105 ? ? ? 
PRD_001099 N21  N21  N 0 1 N N N -32.004 28.571 16.872 -4.475  -10.993 3.149   GLY 14 N    polymer 1 1 106 ? ? ? 
PRD_001099 C67  C67  C 0 1 N N N -32.222 27.382 17.669 -3.223  -11.390 2.496   GLY 14 CA   polymer 1 1 107 ? ? ? 
PRD_001099 C68  C68  C 0 1 N N N -30.954 26.572 17.860 -2.517  -12.423 3.329   GLY 14 C    polymer 1 1 108 ? ? ? 
PRD_001099 O17  O17  O 0 1 N N N -31.011 25.417 18.284 -3.136  -13.040 4.170   GLY 14 O    polymer 1 1 109 ? ? ? 
PRD_001099 N22  N22  N 0 1 N N N -29.811 27.190 17.568 -1.205  -12.673 3.153   LEU 15 N    polymer 1 1 110 ? ? ? 
PRD_001099 C69  C69  C 0 1 N N S -28.535 26.483 17.515 -0.441  -11.943 2.138   LEU 15 CA   polymer 1 1 111 ? ? ? 
PRD_001099 C70  C70  C 0 1 N N N -27.439 27.226 18.272 1.014   -12.325 2.227   LEU 15 C    polymer 1 1 112 ? ? ? 
PRD_001099 O18  O18  O 0 1 N N N -27.601 28.389 18.631 1.343   -13.370 2.749   LEU 15 O    polymer 1 1 113 ? ? ? 
PRD_001099 C71  C71  C 0 1 N N N -28.113 26.311 16.057 -0.588  -10.439 2.374   LEU 15 CB   polymer 1 1 114 ? ? ? 
PRD_001099 C72  C72  C 0 1 N N N -29.168 25.719 15.120 -0.464  -10.143 3.870   LEU 15 CG   polymer 1 1 115 ? ? ? 
PRD_001099 C73  C73  C 0 1 N N N -28.682 25.771 13.681 -0.335  -8.633  4.083   LEU 15 CD1  polymer 1 1 116 ? ? ? 
PRD_001099 C74  C74  C 0 1 N N N -29.511 24.291 15.519 -1.709  -10.656 4.597   LEU 15 CD2  polymer 1 1 117 ? ? ? 
PRD_001099 N23  N23  N 0 1 N N N -26.321 26.544 18.505 1.948   -11.491 1.720   LEU 16 N    polymer 1 1 118 ? ? ? 
PRD_001099 C75  C75  C 0 1 N N S -25.161 27.158 19.139 3.372   -11.834 1.774   LEU 16 CA   polymer 1 1 119 ? ? ? 
PRD_001099 C76  C76  C 0 1 N N N -24.192 27.659 18.074 4.177   -10.571 1.917   LEU 16 C    polymer 1 1 120 ? ? ? 
PRD_001099 O19  O19  O 0 1 N N N -24.087 27.075 16.994 3.662   -9.600  2.430   LEU 16 O    polymer 1 1 121 ? ? ? 
PRD_001099 C77  C77  C 0 1 N N N -24.452 26.157 20.051 3.775   -12.553 0.485   LEU 16 CB   polymer 1 1 122 ? ? ? 
PRD_001099 C78  C78  C 0 1 N N N -23.295 26.708 20.890 3.367   -11.705 -0.721  LEU 16 CG   polymer 1 1 123 ? ? ? 
PRD_001099 C79  C79  C 0 1 N N N -23.791 27.718 21.916 4.135   -10.382 -0.698  LEU 16 CD1  polymer 1 1 124 ? ? ? 
PRD_001099 C80  C80  C 0 1 N N N -22.546 25.574 21.572 3.694   -12.462 -2.010  LEU 16 CD2  polymer 1 1 125 ? ? ? 
PRD_001099 N24  N24  N 0 1 N N N -23.486 28.741 18.386 5.460   -10.486 1.491   GLY 17 N    polymer 1 1 126 ? ? ? 
PRD_001099 C81  C81  C 0 1 N N N -22.524 29.321 17.468 6.130   -9.192  1.661   GLY 17 CA   polymer 1 1 127 ? ? ? 
PRD_001099 C82  C82  C 0 1 N N N -21.095 28.967 17.830 7.429   -9.138  0.888   GLY 17 C    polymer 1 1 128 ? ? ? 
PRD_001099 O20  O20  O 0 1 N N N -20.775 28.747 18.998 7.863   -10.108 0.303   GLY 17 O    polymer 1 1 129 ? ? ? 
PRD_001099 N25  N25  N 0 1 N N N -20.235 28.901 16.819 8.079   -7.956  0.883   ARG 18 N    polymer 1 1 130 ? ? ? 
PRD_001099 C83  C83  C 0 1 N N S -18.808 28.707 17.038 9.344   -7.734  0.180   ARG 18 CA   polymer 1 1 131 ? ? ? 
PRD_001099 C84  C84  C 0 1 N N N -18.029 29.192 15.823 9.572   -6.250  0.125   ARG 18 C    polymer 1 1 132 ? ? ? 
PRD_001099 O21  O21  O 0 1 N N N -18.579 29.310 14.727 8.715   -5.528  0.588   ARG 18 O    polymer 1 1 133 ? ? ? 
PRD_001099 C85  C85  C 0 1 N N N -18.488 27.242 17.335 9.257   -8.300  -1.239  ARG 18 CB   polymer 1 1 134 ? ? ? 
PRD_001099 C86  C86  C 0 1 N N N -18.625 26.308 16.153 8.121   -7.609  -1.995  ARG 18 CG   polymer 1 1 135 ? ? ? 
PRD_001099 C87  C87  C 0 1 N N N -18.291 24.886 16.553 8.112   -8.085  -3.449  ARG 18 CD   polymer 1 1 136 ? ? ? 
PRD_001099 N26  N26  N 0 1 N N N -18.329 23.975 15.413 7.024   -7.423  -4.173  ARG 18 NE   polymer 1 1 137 ? ? ? 
PRD_001099 C88  C88  C 0 1 N N N -18.291 22.650 15.510 6.819   -7.695  -5.498  ARG 18 CZ   polymer 1 1 138 ? ? ? 
PRD_001099 N27  N27  N 0 1 N N N -18.225 22.066 16.700 7.610   -8.561  -6.130  ARG 18 NH1  polymer 1 1 139 ? ? ? 
PRD_001099 N28  N28  N 1 1 N N N -18.327 21.904 14.415 5.830   -7.093  -6.156  ARG 18 NH2  polymer 1 1 140 ? ? ? 
PRD_001099 N29  N29  N 0 1 N N N -16.747 29.471 16.020 10.661  -5.669  -0.402  CYS 19 N    polymer 1 1 141 ? ? ? 
PRD_001099 C89  C89  C 0 1 N N R -15.922 30.025 14.957 10.695  -4.199  -0.417  CYS 19 CA   polymer 1 1 142 ? ? ? 
PRD_001099 C90  C90  C 0 1 N N N -15.451 28.967 13.968 11.086  -3.697  -1.781  CYS 19 C    polymer 1 1 143 ? ? ? 
PRD_001099 O22  O22  O 0 1 N N N -15.005 27.887 14.353 11.928  -4.273  -2.437  CYS 19 O    polymer 1 1 144 ? ? ? 
PRD_001099 C91  C91  C 0 1 N N N -14.721 30.764 15.547 11.666  -3.681  0.641   CYS 19 CB   polymer 1 1 145 ? ? ? 
PRD_001099 S4   S4   S 0 1 N N N -15.161 32.302 16.393 10.720  -2.811  1.938   CYS 19 SG   polymer 1 1 146 ? ? ? 
PRD_001099 N30  N30  N 0 1 N N N -15.582 29.295 12.687 10.477  -2.587  -2.257  ALA 20 N    polymer 1 1 147 ? ? ? 
PRD_001099 C92  C92  C 0 1 N N S -15.011 28.503 11.610 10.807  -2.054  -3.577  ALA 20 CA   polymer 1 1 148 ? ? ? 
PRD_001099 C93  C93  C 0 1 N N N -13.981 29.382 10.918 9.553   -1.532  -4.231  ALA 20 C    polymer 1 1 149 ? ? ? 
PRD_001099 O23  O23  O 0 1 N N N -14.279 30.010 9.903  8.468   -1.838  -3.785  ALA 20 O    polymer 1 1 150 ? ? ? 
PRD_001099 C94  C94  C 0 1 N N N -16.090 28.077 10.637 11.410  -3.164  -4.441  ALA 20 CB   polymer 1 1 151 ? ? ? 
PRD_001099 N31  N31  N 0 1 N N N -12.755 29.442 11.477 9.633   -0.728  -5.307  DPR 21 N    polymer 1 1 152 ? ? ? 
PRD_001099 C95  C95  C 0 1 N N R -11.804 30.448 11.001 8.505   -0.245  -6.109  DPR 21 CA   polymer 1 1 153 ? ? ? 
PRD_001099 C96  C96  C 0 1 N N N -10.516 30.102 11.755 9.054   0.131   -7.497  DPR 21 CB   polymer 1 1 154 ? ? ? 
PRD_001099 C97  C97  C 0 1 N N N -10.963 29.348 12.957 10.578  0.215   -7.330  DPR 21 CG   polymer 1 1 155 ? ? ? 
PRD_001099 C98  C98  C 0 1 N N N -12.173 28.584 12.522 10.881  -0.199  -5.881  DPR 21 CD   polymer 1 1 156 ? ? ? 
PRD_001099 C99  C99  C 0 1 N N N -12.282 31.848 11.366 7.886   0.973   -5.470  DPR 21 C    polymer 1 1 157 ? ? ? 
PRD_001099 O24  O24  O 0 1 N N N -12.592 32.108 12.528 8.436   1.513   -4.534  DPR 21 O    polymer 1 1 158 ? ? ? 
PRD_001099 N32  N32  N 0 1 N N N -12.354 32.717 10.388 6.722   1.459   -5.943  THR 22 N    polymer 1 1 159 ? ? ? 
PRD_001099 C100 C100 C 0 1 N N S -12.799 34.085 10.603 6.143   2.680   -5.383  THR 22 CA   polymer 1 1 160 ? ? ? 
PRD_001099 C101 C101 C 0 1 N N N -14.304 34.215 10.400 4.646   2.665   -5.553  THR 22 C    polymer 1 1 161 ? ? ? 
PRD_001099 O25  O25  O 0 1 N N N -14.841 35.317 10.456 4.091   1.667   -5.962  THR 22 O    polymer 1 1 162 ? ? ? 
PRD_001099 C102 C102 C 0 1 N N R -12.105 35.045 9.624  6.725   3.896   -6.107  THR 22 CB   polymer 1 1 163 ? ? ? 
PRD_001099 O26  O26  O 0 1 N N N -12.402 34.650 8.278  6.315   3.876   -7.476  THR 22 OG1  polymer 1 1 164 ? ? ? 
PRD_001099 C103 C103 C 0 1 N N N -10.599 35.031 9.832  8.252   3.853   -6.031  THR 22 CG2  polymer 1 1 165 ? ? ? 
PRD_001099 C104 C104 C 0 1 N N N -13.851 32.510 -1.075 4.060   4.784   -16.497 1OP 23 C10  polymer 1 1 166 ? ? ? 
PRD_001099 C105 C105 C 0 1 N N N -14.260 33.940 -1.468 3.131   5.382   -17.555 1OP 23 C11  polymer 1 1 167 ? ? ? 
PRD_001099 N33  N33  N 0 1 N N N -14.990 33.069 10.156 3.924   3.765   -5.249  1OP 23 N    polymer 1 1 168 ? ? ? 
PRD_001099 C106 C106 C 0 1 N N N -17.232 32.528 11.027 1.581   3.974   -4.624  1OP 23 C    polymer 1 1 169 ? ? ? 
PRD_001099 O27  O27  O 0 1 N N N -16.731 31.810 11.865 1.892   3.555   -3.529  1OP 23 O    polymer 1 1 170 ? ? ? 
PRD_001099 C107 C107 C 0 1 N N S -16.429 33.081 9.845  2.557   3.891   -5.768  1OP 23 CA   polymer 1 1 171 ? ? ? 
PRD_001099 C108 C108 C 0 1 N N N -16.733 32.155 8.650  2.227   2.670   -6.630  1OP 23 CB   polymer 1 1 172 ? ? ? 
PRD_001099 C109 C109 C 0 1 Y N N -16.042 32.387 7.349  2.797   2.862   -8.012  1OP 23 CG   polymer 1 1 173 ? ? ? 
PRD_001099 C110 C110 C 0 1 Y N N -16.295 33.530 6.594  4.106   2.502   -8.275  1OP 23 CD1  polymer 1 1 174 ? ? ? 
PRD_001099 C111 C111 C 0 1 Y N N -15.143 31.447 6.857  2.009   3.393   -9.016  1OP 23 CD2  polymer 1 1 175 ? ? ? 
PRD_001099 C112 C112 C 0 1 Y N N -15.660 33.741 5.375  4.631   2.677   -9.540  1OP 23 CE1  polymer 1 1 176 ? ? ? 
PRD_001099 C113 C113 C 0 1 Y N N -14.497 31.627 5.647  2.529   3.570   -10.284 1OP 23 CE2  polymer 1 1 177 ? ? ? 
PRD_001099 C114 C114 C 0 1 Y N N -14.761 32.781 4.908  3.844   3.215   -10.548 1OP 23 CZ   polymer 1 1 178 ? ? ? 
PRD_001099 O28  O28  O 0 1 N N N -14.105 32.932 3.714  4.358   3.388   -11.794 1OP 23 O1   polymer 1 1 179 ? ? ? 
PRD_001099 C115 C115 C 0 1 N N N -14.455 31.966 2.742  3.490   3.947   -12.782 1OP 23 C07  polymer 1 1 180 ? ? ? 
PRD_001099 C116 C116 C 0 1 N N N -13.684 32.353 1.463  4.240   4.066   -14.111 1OP 23 C08  polymer 1 1 181 ? ? ? 
PRD_001099 C117 C117 C 0 1 N N N -14.541 32.088 0.219  3.311   4.665   -15.169 1OP 23 C09  polymer 1 1 182 ? ? ? 
PRD_001099 O29  O29  O 0 1 N N N -13.973 34.746 -0.354 3.831   5.493   -18.796 1OP 23 O2   polymer 1 1 183 ? ? ? 
PRD_001099 N34  N34  N 0 1 N N N -18.522 32.885 11.047 0.361   4.514   -4.819  CYS 24 N    polymer 1 1 184 ? ? ? 
PRD_001099 C118 C118 C 0 1 N N R -19.461 32.360 12.028 -0.628  4.533   -3.740  CYS 24 CA   polymer 1 1 185 ? ? ? 
PRD_001099 C119 C119 C 0 1 N N N -20.100 31.075 11.515 -1.990  4.828   -4.312  CYS 24 C    polymer 1 1 186 ? ? ? 
PRD_001099 O30  O30  O 0 1 N N N -20.503 30.996 10.353 -2.157  5.816   -4.996  CYS 24 O    polymer 1 1 187 ? ? ? 
PRD_001099 C120 C120 C 0 1 N N N -20.556 33.385 12.317 -0.279  5.600   -2.715  CYS 24 CB   polymer 1 1 188 ? ? ? 
PRD_001099 S5   S5   S 0 1 N N N -21.861 32.764 13.402 -1.454  5.541   -1.334  CYS 24 SG   polymer 1 1 189 ? ? ? 
PRD_001099 N35  N35  N 0 1 N N N -20.194 30.076 12.388 -3.022  3.999   -4.067  ALA 25 N    polymer 1 1 190 ? ? ? 
PRD_001099 C121 C121 C 0 1 N N S -20.825 28.805 12.047 -4.351  4.293   -4.604  ALA 25 CA   polymer 1 1 191 ? ? ? 
PRD_001099 C122 C122 C 0 1 N N N -21.778 28.378 13.151 -5.249  3.101   -4.403  ALA 25 C    polymer 1 1 192 ? ? ? 
PRD_001099 O31  O31  O 0 1 N N N -21.490 28.558 14.336 -4.770  2.026   -4.107  ALA 25 O    polymer 1 1 193 ? ? ? 
PRD_001099 C123 C123 C 0 1 N N N -19.774 27.736 11.821 -4.241  4.601   -6.099  ALA 25 CB   polymer 1 1 194 ? ? ? 
PRD_001099 N36  N36  N 0 1 N N N -22.912 27.810 12.753 -6.585  3.224   -4.550  CYS 26 N    polymer 1 1 195 ? ? ? 
PRD_001099 C124 C124 C 0 1 N N R -23.917 27.343 13.698 -7.445  2.051   -4.369  CYS 26 CA   polymer 1 1 196 ? ? ? 
PRD_001099 C125 C125 C 0 1 N N N -23.839 25.830 13.862 -8.241  1.814   -5.627  CYS 26 C    polymer 1 1 197 ? ? ? 
PRD_001099 O32  O32  O 0 1 N N N -23.474 25.115 12.929 -8.392  2.713   -6.427  CYS 26 O    polymer 1 1 198 ? ? ? 
PRD_001099 C126 C126 C 0 1 N N N -25.312 27.755 13.228 -8.414  2.269   -3.193  CYS 26 CB   polymer 1 1 199 ? ? ? 
PRD_001099 S6   S6   S 0 1 N N N -25.549 29.547 13.138 -9.234  0.709   -2.762  CYS 26 SG   polymer 1 1 200 ? ? ? 
PRD_001099 N37  N37  N 0 1 N N N -24.187 25.353 15.062 -8.785  0.603   -5.862  VAL 27 N    polymer 1 1 201 ? ? ? 
PRD_001099 C127 C127 C 0 1 N N S -24.110 23.936 15.396 -9.558  0.373   -7.084  VAL 27 CA   polymer 1 1 202 ? ? ? 
PRD_001099 C128 C128 C 0 1 N N N -25.421 23.685 16.159 -10.984 0.810   -6.867  VAL 27 C    polymer 1 1 203 ? ? ? 
PRD_001099 O33  O33  O 0 1 N N N -25.701 24.253 17.207 -11.309 1.317   -5.814  VAL 27 O    polymer 1 1 204 ? ? ? 
PRD_001099 C129 C129 C 0 1 N N N -22.933 23.479 16.284 -9.529  -1.117  -7.433  VAL 27 CB   polymer 1 1 205 ? ? ? 
PRD_001099 C130 C130 C 0 1 N N N -22.848 21.962 16.351 -8.096  -1.535  -7.768  VAL 27 CG1  polymer 1 1 206 ? ? ? 
PRD_001099 C131 C131 C 0 1 N N N -21.647 24.039 15.689 -10.031 -1.930  -6.238  VAL 27 CG2  polymer 1 1 207 ? ? ? 
PRD_001099 N38  N38  N 0 1 N N N -26.288 22.773 15.601 -11.898 0.638   -7.842  NH2 28 N    polymer 1 1 208 ? ? ? 
PRD_001099 H1   H1   H 0 1 N N N -14.463 35.237 13.240 11.014  1.361   3.371   MPT 1  HA1  polymer 1 1 209 ? ? ? 
PRD_001099 H2   H2   H 0 1 N N N -14.021 33.999 14.465 12.583  1.061   4.156   MPT 1  HA2  polymer 1 1 210 ? ? ? 
PRD_001099 H3   H3   H 0 1 N N N -16.815 34.583 13.348 11.898  -1.211  4.751   MPT 1  HB1  polymer 1 1 211 ? ? ? 
PRD_001099 H4   H4   H 0 1 N N N -15.835 33.099 13.095 10.266  -0.920  4.107   MPT 1  HB2  polymer 1 1 212 ? ? ? 
PRD_001099 H5   H5   H 0 1 N N N -16.353 36.937 14.158 11.160  3.232   5.196   ASN 2  H    polymer 1 1 213 ? ? ? 
PRD_001099 H6   H6   H 0 1 N N N -15.820 37.317 17.021 9.599   2.169   7.458   ASN 2  HA   polymer 1 1 214 ? ? ? 
PRD_001099 H7   H7   H 0 1 N N N -17.647 38.572 14.990 10.966  3.493   9.069   ASN 2  HB2  polymer 1 1 215 ? ? ? 
PRD_001099 H8   H8   H 0 1 N N N -18.038 38.758 16.734 11.922  2.219   8.274   ASN 2  HB3  polymer 1 1 216 ? ? ? 
PRD_001099 H9   H9   H 0 0 N N N -15.601 41.394 15.212 13.658  4.023   9.133   ASN 2  HD21 polymer 1 1 217 ? ? ? 
PRD_001099 H10  H10  H 0 0 N N N -16.945 40.594 14.468 14.088  5.157   7.971   ASN 2  HD22 polymer 1 1 218 ? ? ? 
PRD_001099 H11  H11  H 0 1 N N N -16.355 35.728 18.336 8.347   3.974   8.575   LEU 3  H    polymer 1 1 219 ? ? ? 
PRD_001099 H12  H12  H 0 1 N N N -18.166 33.639 17.666 7.923   6.432   8.557   LEU 3  HA   polymer 1 1 220 ? ? ? 
PRD_001099 H13  H13  H 0 1 N N N -16.200 33.383 19.111 8.344   5.886   5.590   LEU 3  HB2  polymer 1 1 221 ? ? ? 
PRD_001099 H14  H14  H 0 1 N N N -16.971 34.429 20.351 7.634   7.394   6.215   LEU 3  HB3  polymer 1 1 222 ? ? ? 
PRD_001099 H15  H15  H 0 1 N N N -18.774 32.754 20.606 10.344  6.297   7.081   LEU 3  HG   polymer 1 1 223 ? ? ? 
PRD_001099 H16  H16  H 0 0 N N N -18.481 30.504 19.623 9.658   8.507   5.090   LEU 3  HD11 polymer 1 1 224 ? ? ? 
PRD_001099 H17  H17  H 0 0 N N N -18.689 31.772 18.368 11.295  8.083   5.647   LEU 3  HD12 polymer 1 1 225 ? ? ? 
PRD_001099 H18  H18  H 0 0 N N N -17.057 31.101 18.705 10.355  6.920   4.681   LEU 3  HD13 polymer 1 1 226 ? ? ? 
PRD_001099 H19  H19  H 0 0 N N N -17.431 31.050 21.778 9.204   7.777   8.712   LEU 3  HD21 polymer 1 1 227 ? ? ? 
PRD_001099 H20  H20  H 0 0 N N N -15.954 31.656 20.955 10.623  8.583   8.001   LEU 3  HD22 polymer 1 1 228 ? ? ? 
PRD_001099 H21  H21  H 0 0 N N N -16.840 32.715 22.105 8.986   9.007   7.444   LEU 3  HD23 polymer 1 1 229 ? ? ? 
PRD_001099 H22  H22  H 0 1 N N N -18.781 36.693 19.111 5.784   7.370   6.947   HIS 4  H    polymer 1 1 230 ? ? ? 
PRD_001099 H23  H23  H 0 1 N N N -20.908 35.645 20.881 3.946   5.117   6.588   HIS 4  HA   polymer 1 1 231 ? ? ? 
PRD_001099 H24  H24  H 0 1 N N N -19.344 37.140 21.889 3.503   7.285   8.688   HIS 4  HB2  polymer 1 1 232 ? ? ? 
PRD_001099 H25  H25  H 0 1 N N N -19.536 38.334 20.560 2.259   6.132   8.148   HIS 4  HB3  polymer 1 1 233 ? ? ? 
PRD_001099 H26  H26  H 0 1 N N N -21.721 36.698 23.238 5.319   6.286   10.287  HIS 4  HD1  polymer 1 1 234 ? ? ? 
PRD_001099 H27  H27  H 0 1 N N N -21.293 40.304 21.182 2.659   3.512   8.789   HIS 4  HD2  polymer 1 1 235 ? ? ? 
PRD_001099 H28  H28  H 0 1 N N N -23.425 38.283 24.246 5.766   4.211   11.603  HIS 4  HE1  polymer 1 1 236 ? ? ? 
PRD_001099 H29  H29  H 0 1 N N N -23.151 40.463 22.986 4.116   2.493   10.672  HIS 4  HE2  polymer 1 1 237 ? ? ? 
PRD_001099 H30  H30  H 0 1 N N N -20.505 38.184 18.379 1.842   5.895   5.537   PHE 5  H    polymer 1 1 238 ? ? ? 
PRD_001099 H31  H31  H 0 1 N N N -23.250 38.659 17.828 1.347   8.576   4.887   PHE 5  HA   polymer 1 1 239 ? ? ? 
PRD_001099 H32  H32  H 0 1 N N N -21.009 38.408 15.768 2.206   8.722   2.587   PHE 5  HB2  polymer 1 1 240 ? ? ? 
PRD_001099 H33  H33  H 0 1 N N N -22.527 39.358 15.633 3.548   8.424   3.718   PHE 5  HB3  polymer 1 1 241 ? ? ? 
PRD_001099 H34  H34  H 0 1 N N N -22.128 40.274 18.700 1.603   7.108   0.947   PHE 5  HD1  polymer 1 1 242 ? ? ? 
PRD_001099 H35  H35  H 0 1 N N N -19.765 40.466 15.160 4.490   6.135   3.932   PHE 5  HD2  polymer 1 1 243 ? ? ? 
PRD_001099 H36  H36  H 0 1 N N N -20.963 42.247 19.587 2.187   5.058   -0.287  PHE 5  HE1  polymer 1 1 244 ? ? ? 
PRD_001099 H37  H37  H 0 1 N N N -18.603 42.444 16.044 5.075   4.086   2.698   PHE 5  HE2  polymer 1 1 245 ? ? ? 
PRD_001099 H38  H38  H 0 1 N N N -19.201 43.339 18.258 3.920   3.545   0.592   PHE 5  HZ   polymer 1 1 246 ? ? ? 
PRD_001099 H39  H39  H 0 1 N N N -20.991 36.083 16.987 -0.364  8.722   3.089   CYS 6  H    polymer 1 1 247 ? ? ? 
PRD_001099 H40  H40  H 0 1 N N N -22.653 34.703 15.103 -2.168  7.921   1.896   CYS 6  HA   polymer 1 1 248 ? ? ? 
PRD_001099 H41  H41  H 0 1 N N N -20.233 34.391 15.226 -0.591  5.340   2.213   CYS 6  HB2  polymer 1 1 249 ? ? ? 
PRD_001099 H42  H42  H 0 1 N N N -20.392 33.696 16.875 -2.173  5.402   1.399   CYS 6  HB3  polymer 1 1 250 ? ? ? 
PRD_001099 H43  H43  H 0 1 N N N -21.899 33.875 18.533 -4.252  6.467   2.426   GLN 7  H    polymer 1 1 251 ? ? ? 
PRD_001099 H44  H44  H 0 1 N N N -23.859 31.810 18.730 -4.354  6.441   5.392   GLN 7  HA   polymer 1 1 252 ? ? ? 
PRD_001099 H45  H45  H 0 1 N N N -22.475 33.585 20.762 -6.284  7.772   3.444   GLN 7  HB2  polymer 1 1 253 ? ? ? 
PRD_001099 H46  H46  H 0 1 N N N -23.732 32.397 21.245 -6.581  7.588   5.189   GLN 7  HB3  polymer 1 1 254 ? ? ? 
PRD_001099 H47  H47  H 0 1 N N N -22.423 30.565 20.421 -4.512  8.865   5.676   GLN 7  HG2  polymer 1 1 255 ? ? ? 
PRD_001099 H48  H48  H 0 1 N N N -21.236 31.681 19.664 -4.215  9.050   3.931   GLN 7  HG3  polymer 1 1 256 ? ? ? 
PRD_001099 H49  H49  H 0 0 N N N -19.868 30.349 22.885 -4.419  11.488  5.061   GLN 7  HE21 polymer 1 1 257 ? ? ? 
PRD_001099 H50  H50  H 0 0 N N N -20.480 29.637 21.429 -5.947  12.162  4.873   GLN 7  HE22 polymer 1 1 258 ? ? ? 
PRD_001099 H51  H51  H 0 1 N N N -24.017 35.317 19.175 -7.462  6.114   4.884   LEU 8  H    polymer 1 1 259 ? ? ? 
PRD_001099 H52  H52  H 0 1 N N N -26.675 35.394 20.272 -7.187  3.182   4.497   LEU 8  HA   polymer 1 1 260 ? ? ? 
PRD_001099 H53  H53  H 0 1 N N N -25.099 37.250 20.450 -8.895  4.730   6.492   LEU 8  HB2  polymer 1 1 261 ? ? ? 
PRD_001099 H54  H54  H 0 1 N N N -25.116 37.449 18.665 -8.992  2.972   6.230   LEU 8  HB3  polymer 1 1 262 ? ? ? 
PRD_001099 H55  H55  H 0 1 N N N -27.419 38.184 18.726 -6.455  4.466   7.031   LEU 8  HG   polymer 1 1 263 ? ? ? 
PRD_001099 H56  H56  H 0 0 N N N -28.597 38.546 20.871 -8.359  2.747   8.685   LEU 8  HD11 polymer 1 1 264 ? ? ? 
PRD_001099 H57  H57  H 0 0 N N N -28.220 36.811 20.600 -6.817  3.429   9.254   LEU 8  HD12 polymer 1 1 265 ? ? ? 
PRD_001099 H58  H58  H 0 0 N N N -27.230 37.776 21.746 -8.165  4.510   8.827   LEU 8  HD13 polymer 1 1 266 ? ? ? 
PRD_001099 H59  H59  H 0 0 N N N -27.093 40.301 19.972 -6.087  2.368   5.761   LEU 8  HD21 polymer 1 1 267 ? ? ? 
PRD_001099 H60  H60  H 0 0 N N N -25.674 39.583 20.805 -5.603  2.178   7.464   LEU 8  HD22 polymer 1 1 268 ? ? ? 
PRD_001099 H61  H61  H 0 0 N N N -25.635 39.843 19.028 -7.146  1.495   6.895   LEU 8  HD23 polymer 1 1 269 ? ? ? 
PRD_001099 H62  H62  H 0 1 N N N -25.379 35.116 17.023 -9.434  2.130   3.987   ARG 9  H    polymer 1 1 270 ? ? ? 
PRD_001099 H63  H63  H 0 1 N N N -27.960 35.646 15.723 -11.734 2.968   3.123   ARG 9  HA   polymer 1 1 271 ? ? ? 
PRD_001099 H64  H64  H 0 1 N N N -25.190 34.850 14.831 -10.799 5.107   2.328   ARG 9  HB2  polymer 1 1 272 ? ? ? 
PRD_001099 H65  H65  H 0 1 N N N -26.591 34.608 13.733 -9.725  4.239   1.206   ARG 9  HB3  polymer 1 1 273 ? ? ? 
PRD_001099 H66  H66  H 0 1 N N N -27.085 36.987 13.780 -11.754 3.259   0.096   ARG 9  HG2  polymer 1 1 274 ? ? ? 
PRD_001099 H67  H67  H 0 1 N N N -25.771 37.264 14.973 -12.775 4.258   1.158   ARG 9  HG3  polymer 1 1 275 ? ? ? 
PRD_001099 H68  H68  H 0 1 N N N -24.992 37.828 12.723 -11.696 6.306   0.270   ARG 9  HD2  polymer 1 1 276 ? ? ? 
PRD_001099 H69  H69  H 0 1 N N N -24.124 36.378 13.333 -10.675 5.307   -0.792  ARG 9  HD3  polymer 1 1 277 ? ? ? 
PRD_001099 H70  H70  H 0 1 N N N -26.499 35.812 11.724 -13.377 4.644   -1.276  ARG 9  HE   polymer 1 1 278 ? ? ? 
PRD_001099 H71  H71  H 0 0 N N N -22.801 35.475 10.201 -11.143 7.300   -1.626  ARG 9  HH11 polymer 1 1 279 ? ? ? 
PRD_001099 H72  H72  H 0 0 N N N -23.026 36.318 11.697 -11.891 7.969   -2.974  ARG 9  HH12 polymer 1 1 280 ? ? ? 
PRD_001099 H73  H73  H 0 0 N N N -24.594 34.575 9.109  -14.405 5.588   -3.152  ARG 9  HH21 polymer 1 1 281 ? ? ? 
PRD_001099 H74  H74  H 0 0 N N N -26.187 34.731 9.771  -13.778 6.979   -3.857  ARG 9  HH22 polymer 1 1 282 ? ? ? 
PRD_001099 H75  H75  H 0 1 N N N -25.861 32.822 16.380 -12.649 1.237   1.840   CYS 10 H    polymer 1 1 283 ? ? ? 
PRD_001099 H76  H76  H 0 1 N N N -27.531 30.980 14.928 -12.499 -0.432  0.108   CYS 10 HA   polymer 1 1 284 ? ? ? 
PRD_001099 H77  H77  H 0 1 N N N -25.376 30.570 17.032 -9.493  -0.132  0.538   CYS 10 HB2  polymer 1 1 285 ? ? ? 
PRD_001099 H78  H78  H 0 1 N N N -26.193 29.237 16.148 -10.287 -1.112  -0.717  CYS 10 HB3  polymer 1 1 286 ? ? ? 
PRD_001099 H79  H79  H 0 1 N N N -27.463 32.063 18.304 -10.515 -2.652  0.461   LYS 11 H    polymer 1 1 287 ? ? ? 
PRD_001099 H80  H80  H 0 1 N N N -29.137 29.957 19.321 -10.206 -3.298  3.206   LYS 11 HA   polymer 1 1 288 ? ? ? 
PRD_001099 H81  H81  H 0 1 N N N -27.701 31.864 20.539 -11.988 -4.959  3.475   LYS 11 HB2  polymer 1 1 289 ? ? ? 
PRD_001099 H82  H82  H 0 1 N N N -29.299 32.686 20.543 -12.710 -3.379  3.087   LYS 11 HB3  polymer 1 1 290 ? ? ? 
PRD_001099 H83  H83  H 0 1 N N N -29.107 31.513 22.617 -12.804 -4.069  0.673   LYS 11 HG2  polymer 1 1 291 ? ? ? 
PRD_001099 H84  H84  H 0 1 N N N -30.259 30.587 21.597 -12.210 -5.680  1.147   LYS 11 HG3  polymer 1 1 292 ? ? ? 
PRD_001099 H85  H85  H 0 1 N N N -28.309 29.114 20.907 -14.172 -5.964  2.636   LYS 11 HD2  polymer 1 1 293 ? ? ? 
PRD_001099 H86  H86  H 0 1 N N N -27.326 29.951 22.155 -14.765 -4.354  2.163   LYS 11 HD3  polymer 1 1 294 ? ? ? 
PRD_001099 H87  H87  H 0 1 N N N -28.782 29.175 23.917 -14.906 -5.100  -0.198  LYS 11 HE2  polymer 1 1 295 ? ? ? 
PRD_001099 H88  H88  H 0 1 N N N -29.948 28.507 22.726 -14.313 -6.710  0.276   LYS 11 HE3  polymer 1 1 296 ? ? ? 
PRD_001099 H89  H89  H 0 1 N N N -28.532 26.809 23.645 -16.693 -6.644  0.138   LYS 11 HZ1  polymer 1 1 297 ? ? ? 
PRD_001099 H90  H90  H 0 1 N N N -28.244 26.963 22.045 -16.220 -6.923  1.691   LYS 11 HZ2  polymer 1 1 298 ? ? ? 
PRD_001099 H91  H91  H 0 1 N N N -27.183 27.570 23.129 -16.769 -5.433  1.253   LYS 11 HZ3  polymer 1 1 299 ? ? ? 
PRD_001099 H92  H92  H 0 1 N N N -29.761 32.882 17.512 -9.840  -5.951  3.324   SER 12 H    polymer 1 1 300 ? ? ? 
PRD_001099 H93  H93  H 0 1 N N N -32.641 32.859 18.008 -9.538  -7.582  1.185   SER 12 HA   polymer 1 1 301 ? ? ? 
PRD_001099 H94  H94  H 0 1 N N N -31.008 34.227 15.821 -8.390  -5.850  -0.072  SER 12 HB2  polymer 1 1 302 ? ? ? 
PRD_001099 H95  H95  H 0 1 N N N -32.736 34.529 16.204 -7.230  -5.595  1.254   SER 12 HB3  polymer 1 1 303 ? ? ? 
PRD_001099 H96  H96  H 0 1 N N N -31.316 36.049 17.202 -6.354  -7.048  -0.428  SER 12 HG   polymer 1 1 304 ? ? ? 
PRD_001099 H97  H97  H 0 1 N N N -30.543 30.908 16.213 -7.172  -8.907  1.361   LEU 13 H    polymer 1 1 305 ? ? ? 
PRD_001099 H98  H98  H 0 1 N N N -32.706 30.158 14.296 -6.282  -8.978  4.150   LEU 13 HA   polymer 1 1 306 ? ? ? 
PRD_001099 H99  H99  H 0 1 N N N -29.714 29.887 14.320 -6.729  -11.466 4.253   LEU 13 HB2  polymer 1 1 307 ? ? ? 
PRD_001099 H100 H100 H 0 1 N N N -30.691 28.653 13.455 -8.205  -10.471 4.236   LEU 13 HB3  polymer 1 1 308 ? ? ? 
PRD_001099 H101 H101 H 0 1 N N N -31.634 30.341 12.006 -8.290  -10.799 1.721   LEU 13 HG   polymer 1 1 309 ? ? ? 
PRD_001099 H102 H102 H 0 0 N N N -30.893 32.695 12.081 -6.961  -12.787 0.877   LEU 13 HD11 polymer 1 1 310 ? ? ? 
PRD_001099 H103 H103 H 0 0 N N N -31.758 32.218 13.581 -5.971  -11.364 1.283   LEU 13 HD12 polymer 1 1 311 ? ? ? 
PRD_001099 H104 H104 H 0 0 N N N -29.967 32.352 13.581 -6.045  -12.745 2.403   LEU 13 HD13 polymer 1 1 312 ? ? ? 
PRD_001099 H105 H105 H 0 0 N N N -29.577 31.050 10.821 -9.671  -12.152 3.275   LEU 13 HD21 polymer 1 1 313 ? ? ? 
PRD_001099 H106 H106 H 0 0 N N N -28.605 30.617 12.268 -9.152  -13.119 1.874   LEU 13 HD22 polymer 1 1 314 ? ? ? 
PRD_001099 H107 H107 H 0 0 N N N -29.490 29.341 11.365 -8.337  -13.318 3.444   LEU 13 HD23 polymer 1 1 315 ? ? ? 
PRD_001099 H108 H108 H 0 1 N N N -31.803 29.436 17.332 -4.760  -11.433 3.966   GLY 14 H    polymer 1 1 316 ? ? ? 
PRD_001099 H109 H109 H 0 1 N N N -32.600 27.684 18.657 -3.443  -11.807 1.513   GLY 14 HA2  polymer 1 1 317 ? ? ? 
PRD_001099 H110 H110 H 0 1 N N N -32.971 26.752 17.166 -2.581  -10.516 2.382   GLY 14 HA3  polymer 1 1 318 ? ? ? 
PRD_001099 H111 H111 H 0 1 N N N -29.827 28.172 17.379 -0.763  -13.340 3.702   LEU 15 H    polymer 1 1 319 ? ? ? 
PRD_001099 H112 H112 H 0 1 N N N -28.653 25.485 17.963 -0.822  -12.193 1.148   LEU 15 HA   polymer 1 1 320 ? ? ? 
PRD_001099 H113 H113 H 0 1 N N N -27.835 27.302 15.668 0.195   -9.908  1.833   LEU 15 HB2  polymer 1 1 321 ? ? ? 
PRD_001099 H114 H114 H 0 1 N N N -27.235 25.649 16.036 -1.564  -10.108 2.019   LEU 15 HB3  polymer 1 1 322 ? ? ? 
PRD_001099 H115 H115 H 0 1 N N N -30.080 26.329 15.200 0.420   -10.642 4.267   LEU 15 HG   polymer 1 1 323 ? ? ? 
PRD_001099 H116 H116 H 0 0 N N N -29.449 25.343 13.019 -1.219  -8.134  3.686   LEU 15 HD11 polymer 1 1 324 ? ? ? 
PRD_001099 H117 H117 H 0 0 N N N -28.493 26.816 13.395 -0.247  -8.422  5.148   LEU 15 HD12 polymer 1 1 325 ? ? ? 
PRD_001099 H118 H118 H 0 0 N N N -27.752 25.192 13.587 0.552   -8.267  3.565   LEU 15 HD13 polymer 1 1 326 ? ? ? 
PRD_001099 H119 H119 H 0 0 N N N -30.270 23.890 14.831 -2.586  -10.498 3.970   LEU 15 HD21 polymer 1 1 327 ? ? ? 
PRD_001099 H120 H120 H 0 0 N N N -28.605 23.669 15.469 -1.596  -11.720 4.804   LEU 15 HD22 polymer 1 1 328 ? ? ? 
PRD_001099 H121 H121 H 0 0 N N N -29.906 24.282 16.546 -1.831  -10.115 5.535   LEU 15 HD23 polymer 1 1 329 ? ? ? 
PRD_001099 H122 H122 H 0 1 N N N -26.275 25.582 18.237 1.672   -10.655 1.313   LEU 16 H    polymer 1 1 330 ? ? ? 
PRD_001099 H123 H123 H 0 1 N N N -25.487 28.015 19.747 3.559   -12.484 2.629   LEU 16 HA   polymer 1 1 331 ? ? ? 
PRD_001099 H124 H124 H 0 1 N N N -25.201 25.744 20.743 4.854   -12.704 0.475   LEU 16 HB2  polymer 1 1 332 ? ? ? 
PRD_001099 H125 H125 H 0 1 N N N -24.053 25.350 19.418 3.273   -13.520 0.437   LEU 16 HB3  polymer 1 1 333 ? ? ? 
PRD_001099 H126 H126 H 0 1 N N N -22.597 27.222 20.213 2.296   -11.505 -0.679  LEU 16 HG   polymer 1 1 334 ? ? ? 
PRD_001099 H127 H127 H 0 0 N N N -22.940 28.095 22.502 3.902   -9.811  -1.596  LEU 16 HD11 polymer 1 1 335 ? ? ? 
PRD_001099 H128 H128 H 0 0 N N N -24.280 28.557 21.398 3.845   -9.809  0.183   LEU 16 HD12 polymer 1 1 336 ? ? ? 
PRD_001099 H129 H129 H 0 0 N N N -24.513 27.232 22.589 5.206   -10.584 -0.663  LEU 16 HD13 polymer 1 1 337 ? ? ? 
PRD_001099 H130 H130 H 0 0 N N N -21.720 25.987 22.169 3.147   -13.405 -2.027  LEU 16 HD21 polymer 1 1 338 ? ? ? 
PRD_001099 H131 H131 H 0 0 N N N -23.235 25.023 22.230 3.404   -11.858 -2.870  LEU 16 HD22 polymer 1 1 339 ? ? ? 
PRD_001099 H132 H132 H 0 0 N N N -22.142 24.891 20.810 4.765   -12.662 -2.052  LEU 16 HD23 polymer 1 1 340 ? ? ? 
PRD_001099 H133 H133 H 0 1 N N N -23.622 29.168 19.280 5.914   -11.245 1.093   GLY 17 H    polymer 1 1 341 ? ? ? 
PRD_001099 H134 H134 H 0 1 N N N -22.734 28.949 16.454 5.470   -8.400  1.307   GLY 17 HA2  polymer 1 1 342 ? ? ? 
PRD_001099 H135 H135 H 0 1 N N N -22.633 30.415 17.487 6.338   -9.034  2.720   GLY 17 HA3  polymer 1 1 343 ? ? ? 
PRD_001099 H136 H136 H 0 1 N N N -20.577 28.987 15.883 7.687   -7.215  1.370   ARG 18 H    polymer 1 1 344 ? ? ? 
PRD_001099 H137 H137 H 0 1 N N N -18.495 29.306 17.906 10.159  -8.214  0.722   ARG 18 HA   polymer 1 1 345 ? ? ? 
PRD_001099 H138 H138 H 0 1 N N N -17.451 27.185 17.697 10.199  -8.124  -1.759  ARG 18 HB2  polymer 1 1 346 ? ? ? 
PRD_001099 H139 H139 H 0 1 N N N -19.171 26.896 18.125 9.063   -9.372  -1.192  ARG 18 HB3  polymer 1 1 347 ? ? ? 
PRD_001099 H140 H140 H 0 1 N N N -19.660 26.345 15.782 7.169   -7.856  -1.526  ARG 18 HG2  polymer 1 1 348 ? ? ? 
PRD_001099 H141 H141 H 0 1 N N N -17.938 26.630 15.357 8.270   -6.529  -1.967  ARG 18 HG3  polymer 1 1 349 ? ? ? 
PRD_001099 H142 H142 H 0 1 N N N -17.281 24.867 16.989 9.064   -7.837  -3.919  ARG 18 HD2  polymer 1 1 350 ? ? ? 
PRD_001099 H143 H143 H 0 1 N N N -19.021 24.547 17.303 7.963   -9.165  -3.477  ARG 18 HD3  polymer 1 1 351 ? ? ? 
PRD_001099 H144 H144 H 0 1 N N N -18.388 24.374 14.498 6.448   -6.793  -3.713  ARG 18 HE   polymer 1 1 352 ? ? ? 
PRD_001099 H145 H145 H 0 0 N N N -18.203 21.068 16.767 8.330   -8.999  -5.651  ARG 18 HH11 polymer 1 1 353 ? ? ? 
PRD_001099 H146 H146 H 0 0 N N N -18.198 22.623 17.530 7.465   -8.753  -7.070  ARG 18 HH12 polymer 1 1 354 ? ? ? 
PRD_001099 H147 H147 H 0 0 N N N -18.304 20.907 14.488 5.254   -6.462  -5.696  ARG 18 HH21 polymer 1 1 355 ? ? ? 
PRD_001099 H148 H148 H 0 0 N N N -18.377 22.338 13.516 5.685   -7.285  -7.096  ARG 18 HH22 polymer 1 1 356 ? ? ? 
PRD_001099 H149 H149 H 0 1 N N N -16.340 29.297 16.917 11.394  -6.196  -0.758  CYS 19 H    polymer 1 1 357 ? ? ? 
PRD_001099 H150 H150 H 0 1 N N N -16.521 30.759 14.398 9.688   -3.838  -0.184  CYS 19 HA   polymer 1 1 358 ? ? ? 
PRD_001099 H151 H151 H 0 1 N N N -14.224 30.100 16.269 12.207  -4.519  1.081   CYS 19 HB2  polymer 1 1 359 ? ? ? 
PRD_001099 H152 H152 H 0 1 N N N -14.024 31.003 14.730 12.373  -2.991  0.181   CYS 19 HB3  polymer 1 1 360 ? ? ? 
PRD_001099 H153 H153 H 0 1 N N N -16.095 30.121 12.454 9.810   -2.139  -1.714  ALA 20 H    polymer 1 1 361 ? ? ? 
PRD_001099 H154 H154 H 0 1 N N N -14.513 27.611 12.017 11.528  -1.242  -3.472  ALA 20 HA   polymer 1 1 362 ? ? ? 
PRD_001099 H155 H155 H 0 1 N N N -15.641 27.480 9.830  10.716  -4.002  -4.491  ALA 20 HB1  polymer 1 1 363 ? ? ? 
PRD_001099 H156 H156 H 0 1 N N N -16.842 27.473 11.165 11.594  -2.783  -5.445  ALA 20 HB2  polymer 1 1 364 ? ? ? 
PRD_001099 H157 H157 H 0 1 N N N -16.571 28.969 10.209 12.350  -3.496  -4.001  ALA 20 HB3  polymer 1 1 365 ? ? ? 
PRD_001099 H158 H158 H 0 1 N N N -11.645 30.367 9.916  7.757   -1.028  -6.206  DPR 21 HA   polymer 1 1 366 ? ? ? 
PRD_001099 H159 H159 H 0 1 N N N -9.858  29.479 11.131 8.797   -0.639  -8.225  DPR 21 HB2  polymer 1 1 367 ? ? ? 
PRD_001099 H160 H160 H 0 1 N N N -9.983  31.018 12.050 8.655   1.095   -7.812  DPR 21 HB3  polymer 1 1 368 ? ? ? 
PRD_001099 H161 H161 H 0 1 N N N -10.174 28.659 13.294 11.070  -0.467  -8.024  DPR 21 HG2  polymer 1 1 369 ? ? ? 
PRD_001099 H162 H162 H 0 1 N N N -11.218 30.041 13.772 10.918  1.236   -7.506  DPR 21 HG3  polymer 1 1 370 ? ? ? 
PRD_001099 H163 H163 H 0 1 N N N -12.875 28.449 13.358 11.213  0.668   -5.310  DPR 21 HD2  polymer 1 1 371 ? ? ? 
PRD_001099 H164 H164 H 0 1 N N N -11.894 27.601 12.115 11.651  -0.970  -5.869  DPR 21 HD3  polymer 1 1 372 ? ? ? 
PRD_001099 H165 H165 H 0 1 N N N -12.095 32.431 9.465  6.264   0.995   -6.661  THR 22 H    polymer 1 1 373 ? ? ? 
PRD_001099 H166 H166 H 0 1 N N N -12.554 34.396 11.629 6.386   2.742   -4.322  THR 22 HA   polymer 1 1 374 ? ? ? 
PRD_001099 H167 H167 H 0 1 N N N -12.478 36.063 9.808  6.363   4.808   -5.633  THR 22 HB   polymer 1 1 375 ? ? ? 
PRD_001099 H168 H168 H 0 1 N N N -11.974 35.243 7.672  6.602   3.090   -7.961  THR 22 HG1  polymer 1 1 376 ? ? ? 
PRD_001099 H169 H169 H 0 0 N N N -10.124 35.724 9.122  8.614   2.940   -6.505  THR 22 HG21 polymer 1 1 377 ? ? ? 
PRD_001099 H170 H170 H 0 0 N N N -10.368 35.345 10.861 8.666   4.719   -6.547  THR 22 HG22 polymer 1 1 378 ? ? ? 
PRD_001099 H171 H171 H 0 0 N N N -10.215 34.014 9.664  8.564   3.868   -4.987  THR 22 HG23 polymer 1 1 379 ? ? ? 
PRD_001099 H172 H172 H 0 1 N N N -14.139 31.818 -1.880 4.388   3.795   -16.819 1OP 23 H1   polymer 1 1 380 ? ? ? 
PRD_001099 H173 H173 H 0 1 N Y N -12.761 32.473 -0.932 4.928   5.430   -16.368 1OP 23 H20  polymer 1 1 381 ? ? ? 
PRD_001099 H174 H174 H 0 1 N N N -13.682 34.276 -2.342 2.263   4.736   -17.684 1OP 23 H3   polymer 1 1 382 ? ? ? 
PRD_001099 H175 H175 H 0 1 N N N -15.334 33.980 -1.701 2.803   6.371   -17.234 1OP 23 H4   polymer 1 1 383 ? ? ? 
PRD_001099 H176 H176 H 0 1 N N N -14.506 32.195 10.188 4.305   4.464   -4.694  1OP 23 H2   polymer 1 1 384 ? ? ? 
PRD_001099 H177 H177 H 0 1 N N N -16.765 34.103 9.614  2.481   4.793   -6.375  1OP 23 HA   polymer 1 1 385 ? ? ? 
PRD_001099 H178 H178 H 0 1 N N N -17.813 32.227 8.456  2.661   1.778   -6.179  1OP 23 HB1  polymer 1 1 386 ? ? ? 
PRD_001099 H179 H179 H 0 1 N N N -16.484 31.131 8.967  1.145   2.554   -6.697  1OP 23 HB2  polymer 1 1 387 ? ? ? 
PRD_001099 H180 H180 H 0 1 N N N -16.996 34.265 6.962  4.718   2.084   -7.490  1OP 23 H9   polymer 1 1 388 ? ? ? 
PRD_001099 H181 H181 H 0 1 N N N -14.944 30.555 7.433  0.986   3.670   -8.810  1OP 23 H10  polymer 1 1 389 ? ? ? 
PRD_001099 H182 H182 H 0 1 N N N -15.859 34.633 4.799  5.654   2.396   -9.745  1OP 23 H11  polymer 1 1 390 ? ? ? 
PRD_001099 H183 H183 H 0 1 N N N -13.801 30.887 5.281  1.913   3.984   -11.068 1OP 23 H12  polymer 1 1 391 ? ? ? 
PRD_001099 H184 H184 H 0 1 N N N -15.539 31.986 2.556  2.622   3.301   -12.911 1OP 23 H13  polymer 1 1 392 ? ? ? 
PRD_001099 H185 H185 H 0 1 N N N -14.159 30.961 3.078  3.163   4.936   -12.461 1OP 23 H14  polymer 1 1 393 ? ? ? 
PRD_001099 H186 H186 H 0 1 N N N -12.762 31.756 1.401  5.108   4.713   -13.982 1OP 23 H15  polymer 1 1 394 ? ? ? 
PRD_001099 H187 H187 H 0 1 N N N -13.427 33.422 1.505  4.568   3.078   -14.433 1OP 23 H16  polymer 1 1 395 ? ? ? 
PRD_001099 H188 H188 H 0 1 N N N -15.482 32.649 0.315  2.983   5.653   -14.847 1OP 23 H17  polymer 1 1 396 ? ? ? 
PRD_001099 H189 H189 H 0 1 N N N -14.760 31.011 0.166  2.443   4.018   -15.298 1OP 23 H18  polymer 1 1 397 ? ? ? 
PRD_001099 H190 H190 H 0 1 N N N -14.209 35.646 -0.545 3.302   5.866   -19.514 1OP 23 H19  polymer 1 1 398 ? ? ? 
PRD_001099 H191 H191 H 0 1 N N N -18.853 33.536 10.363 0.137   4.894   -5.683  CYS 24 H    polymer 1 1 399 ? ? ? 
PRD_001099 H192 H192 H 0 1 N N N -18.930 32.139 12.966 -0.647  3.558   -3.250  CYS 24 HA   polymer 1 1 400 ? ? ? 
PRD_001099 H193 H193 H 0 1 N N N -20.094 34.262 12.795 0.727   5.424   -2.335  CYS 24 HB2  polymer 1 1 401 ? ? ? 
PRD_001099 H194 H194 H 0 1 N N N -21.012 33.686 11.362 -0.324  6.583   -3.183  CYS 24 HB3  polymer 1 1 402 ? ? ? 
PRD_001099 H195 H195 H 0 1 N N N -19.820 30.200 13.307 -2.883  3.202   -3.532  ALA 25 H    polymer 1 1 403 ? ? ? 
PRD_001099 H196 H196 H 0 1 N N N -21.402 28.926 11.119 -4.770  5.156   -4.086  ALA 25 HA   polymer 1 1 404 ? ? ? 
PRD_001099 H197 H197 H 0 1 N N N -20.266 26.786 11.565 -3.822  3.739   -6.618  ALA 25 HB1  polymer 1 1 405 ? ? ? 
PRD_001099 H198 H198 H 0 1 N N N -19.113 28.040 10.996 -5.231  4.821   -6.499  ALA 25 HB2  polymer 1 1 406 ? ? ? 
PRD_001099 H199 H199 H 0 1 N N N -19.180 27.606 12.738 -3.590  5.464   -6.245  ALA 25 HB3  polymer 1 1 407 ? ? ? 
PRD_001099 H200 H200 H 0 1 N N N -23.080 27.700 11.773 -6.973  4.084   -4.774  CYS 26 H    polymer 1 1 408 ? ? ? 
PRD_001099 H201 H201 H 0 1 N N N -23.734 27.806 14.679 -6.829  1.177   -4.160  CYS 26 HA   polymer 1 1 409 ? ? ? 
PRD_001099 H202 H202 H 0 1 N N N -25.480 27.332 12.227 -7.860  2.629   -2.327  CYS 26 HB2  polymer 1 1 410 ? ? ? 
PRD_001099 H203 H203 H 0 1 N N N -26.051 27.342 13.930 -9.168  3.005   -3.475  CYS 26 HB3  polymer 1 1 411 ? ? ? 
PRD_001099 H204 H204 H 0 1 N N N -24.513 25.993 15.757 -8.664  -0.115  -5.222  VAL 27 H    polymer 1 1 412 ? ? ? 
PRD_001099 H205 H205 H 0 1 N N N -24.114 23.333 14.476 -9.123  0.946   -7.903  VAL 27 HA   polymer 1 1 413 ? ? ? 
PRD_001099 H206 H206 H 0 1 N N N -23.071 23.882 17.298 -10.172 -1.301  -8.294  VAL 27 HB   polymer 1 1 414 ? ? ? 
PRD_001099 H207 H207 H 0 0 N N N -22.001 21.670 16.990 -7.471  -1.434  -6.880  VAL 27 HG11 polymer 1 1 415 ? ? ? 
PRD_001099 H208 H208 H 0 0 N N N -23.781 21.561 16.773 -8.089  -2.572  -8.101  VAL 27 HG12 polymer 1 1 416 ? ? ? 
PRD_001099 H209 H209 H 0 0 N N N -22.700 21.558 15.339 -7.707  -0.895  -8.560  VAL 27 HG13 polymer 1 1 417 ? ? ? 
PRD_001099 H210 H210 H 0 0 N N N -20.791 23.727 16.305 -9.389  -1.746  -5.377  VAL 27 HG21 polymer 1 1 418 ? ? ? 
PRD_001099 H211 H211 H 0 0 N N N -21.520 23.657 14.665 -11.052 -1.632  -5.999  VAL 27 HG22 polymer 1 1 419 ? ? ? 
PRD_001099 H212 H212 H 0 0 N N N -21.701 25.137 15.667 -10.011 -2.991  -6.486  VAL 27 HG23 polymer 1 1 420 ? ? ? 
PRD_001099 H213 H213 H 0 1 N N N -27.157 22.568 16.052 -11.624 0.301   -8.710  NH2 28 HN1  polymer 1 1 421 ? ? ? 
PRD_001099 H214 H214 H 0 1 N N N -26.049 22.315 14.745 -12.829 0.852   -7.677  NH2 28 HN2  polymer 1 1 422 ? ? ? 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
PRD_001099 C1   C2   SING N N 1   
PRD_001099 C1   C3   SING N N 2   
PRD_001099 C1   H1   SING N N 3   
PRD_001099 C1   H2   SING N N 4   
PRD_001099 C2   O1   DOUB N N 5   
PRD_001099 C3   S1   SING N N 6   
PRD_001099 C3   H3   SING N N 7   
PRD_001099 C3   H4   SING N N 8   
PRD_001099 N1   C4   SING N N 9   
PRD_001099 N1   H5   SING N N 10  
PRD_001099 C4   C5   SING N N 11  
PRD_001099 C4   C6   SING N N 12  
PRD_001099 C4   H6   SING N N 13  
PRD_001099 C5   O2   DOUB N N 14  
PRD_001099 C6   C7   SING N N 15  
PRD_001099 C6   H7   SING N N 16  
PRD_001099 C6   H8   SING N N 17  
PRD_001099 C7   O3   DOUB N N 18  
PRD_001099 C7   N2   SING N N 19  
PRD_001099 N2   H9   SING N N 20  
PRD_001099 N2   H10  SING N N 21  
PRD_001099 N3   C8   SING N N 22  
PRD_001099 N3   H11  SING N N 23  
PRD_001099 C8   C9   SING N N 24  
PRD_001099 C8   C10  SING N N 25  
PRD_001099 C8   H12  SING N N 26  
PRD_001099 C9   O4   DOUB N N 27  
PRD_001099 C10  C11  SING N N 28  
PRD_001099 C10  H13  SING N N 29  
PRD_001099 C10  H14  SING N N 30  
PRD_001099 C11  C12  SING N N 31  
PRD_001099 C11  C13  SING N N 32  
PRD_001099 C11  H15  SING N N 33  
PRD_001099 C12  H16  SING N N 34  
PRD_001099 C12  H17  SING N N 35  
PRD_001099 C12  H18  SING N N 36  
PRD_001099 C13  H19  SING N N 37  
PRD_001099 C13  H20  SING N N 38  
PRD_001099 C13  H21  SING N N 39  
PRD_001099 N4   C14  SING N N 40  
PRD_001099 N4   H22  SING N N 41  
PRD_001099 C14  C15  SING N N 42  
PRD_001099 C14  C16  SING N N 43  
PRD_001099 C14  H23  SING N N 44  
PRD_001099 C15  O5   DOUB N N 45  
PRD_001099 C16  C17  SING N N 46  
PRD_001099 C16  H24  SING N N 47  
PRD_001099 C16  H25  SING N N 48  
PRD_001099 C17  N5   SING Y N 49  
PRD_001099 C17  C18  DOUB Y N 50  
PRD_001099 N5   C19  DOUB Y N 51  
PRD_001099 N5   H26  SING N N 52  
PRD_001099 C18  N6   SING Y N 53  
PRD_001099 C18  H27  SING N N 54  
PRD_001099 C19  N6   SING Y N 55  
PRD_001099 C19  H28  SING N N 56  
PRD_001099 N6   H29  SING N N 57  
PRD_001099 N7   C20  SING N N 58  
PRD_001099 N7   H30  SING N N 59  
PRD_001099 C20  C21  SING N N 60  
PRD_001099 C20  C22  SING N N 61  
PRD_001099 C20  H31  SING N N 62  
PRD_001099 C21  O6   DOUB N N 63  
PRD_001099 C22  C23  SING N N 64  
PRD_001099 C22  H32  SING N N 65  
PRD_001099 C22  H33  SING N N 66  
PRD_001099 C23  C24  DOUB Y N 67  
PRD_001099 C23  C25  SING Y N 68  
PRD_001099 C24  C26  SING Y N 69  
PRD_001099 C24  H34  SING N N 70  
PRD_001099 C25  C27  DOUB Y N 71  
PRD_001099 C25  H35  SING N N 72  
PRD_001099 C26  C28  DOUB Y N 73  
PRD_001099 C26  H36  SING N N 74  
PRD_001099 C27  C28  SING Y N 75  
PRD_001099 C27  H37  SING N N 76  
PRD_001099 C28  H38  SING N N 77  
PRD_001099 N8   C29  SING N N 78  
PRD_001099 N8   H39  SING N N 79  
PRD_001099 C29  C30  SING N N 80  
PRD_001099 C29  C31  SING N N 81  
PRD_001099 C29  H40  SING N N 82  
PRD_001099 C30  O7   DOUB N N 83  
PRD_001099 C31  S2   SING N N 84  
PRD_001099 C31  H41  SING N N 85  
PRD_001099 C31  H42  SING N N 86  
PRD_001099 N9   C32  SING N N 87  
PRD_001099 N9   H43  SING N N 88  
PRD_001099 C32  C33  SING N N 89  
PRD_001099 C32  C34  SING N N 90  
PRD_001099 C32  H44  SING N N 91  
PRD_001099 C33  O8   DOUB N N 92  
PRD_001099 C34  C35  SING N N 93  
PRD_001099 C34  H45  SING N N 94  
PRD_001099 C34  H46  SING N N 95  
PRD_001099 C35  C36  SING N N 96  
PRD_001099 C35  H47  SING N N 97  
PRD_001099 C35  H48  SING N N 98  
PRD_001099 C36  O9   DOUB N N 99  
PRD_001099 C36  N10  SING N N 100 
PRD_001099 N10  H49  SING N N 101 
PRD_001099 N10  H50  SING N N 102 
PRD_001099 N11  C37  SING N N 103 
PRD_001099 N11  H51  SING N N 104 
PRD_001099 C37  C38  SING N N 105 
PRD_001099 C37  C39  SING N N 106 
PRD_001099 C37  H52  SING N N 107 
PRD_001099 C38  O10  DOUB N N 108 
PRD_001099 C39  C40  SING N N 109 
PRD_001099 C39  H53  SING N N 110 
PRD_001099 C39  H54  SING N N 111 
PRD_001099 C40  C41  SING N N 112 
PRD_001099 C40  C42  SING N N 113 
PRD_001099 C40  H55  SING N N 114 
PRD_001099 C41  H56  SING N N 115 
PRD_001099 C41  H57  SING N N 116 
PRD_001099 C41  H58  SING N N 117 
PRD_001099 C42  H59  SING N N 118 
PRD_001099 C42  H60  SING N N 119 
PRD_001099 C42  H61  SING N N 120 
PRD_001099 N12  C43  SING N N 121 
PRD_001099 N12  H62  SING N N 122 
PRD_001099 C43  C44  SING N N 123 
PRD_001099 C43  C45  SING N N 124 
PRD_001099 C43  H63  SING N N 125 
PRD_001099 C44  O11  DOUB N N 126 
PRD_001099 C45  C46  SING N N 127 
PRD_001099 C45  H64  SING N N 128 
PRD_001099 C45  H65  SING N N 129 
PRD_001099 C46  C47  SING N N 130 
PRD_001099 C46  H66  SING N N 131 
PRD_001099 C46  H67  SING N N 132 
PRD_001099 C47  N13  SING N N 133 
PRD_001099 C47  H68  SING N N 134 
PRD_001099 C47  H69  SING N N 135 
PRD_001099 N13  C48  SING N N 136 
PRD_001099 N13  H70  SING N N 137 
PRD_001099 C48  N14  SING N N 138 
PRD_001099 C48  N15  DOUB N N 139 
PRD_001099 N14  H71  SING N N 140 
PRD_001099 N14  H72  SING N N 141 
PRD_001099 N15  H73  SING N N 142 
PRD_001099 N15  H74  SING N N 143 
PRD_001099 N16  C49  SING N N 144 
PRD_001099 N16  H75  SING N N 145 
PRD_001099 C49  C50  SING N N 146 
PRD_001099 C49  C51  SING N N 147 
PRD_001099 C49  H76  SING N N 148 
PRD_001099 C50  O12  DOUB N N 149 
PRD_001099 C51  S3   SING N N 150 
PRD_001099 C51  H77  SING N N 151 
PRD_001099 C51  H78  SING N N 152 
PRD_001099 N17  C52  SING N N 153 
PRD_001099 N17  H79  SING N N 154 
PRD_001099 C52  C53  SING N N 155 
PRD_001099 C52  C54  SING N N 156 
PRD_001099 C52  H80  SING N N 157 
PRD_001099 C53  O13  DOUB N N 158 
PRD_001099 C54  C55  SING N N 159 
PRD_001099 C54  H81  SING N N 160 
PRD_001099 C54  H82  SING N N 161 
PRD_001099 C55  C56  SING N N 162 
PRD_001099 C55  H83  SING N N 163 
PRD_001099 C55  H84  SING N N 164 
PRD_001099 C56  C57  SING N N 165 
PRD_001099 C56  H85  SING N N 166 
PRD_001099 C56  H86  SING N N 167 
PRD_001099 C57  N18  SING N N 168 
PRD_001099 C57  H87  SING N N 169 
PRD_001099 C57  H88  SING N N 170 
PRD_001099 N18  H89  SING N N 171 
PRD_001099 N18  H90  SING N N 172 
PRD_001099 N18  H91  SING N N 173 
PRD_001099 N19  C58  SING N N 174 
PRD_001099 N19  H92  SING N N 175 
PRD_001099 C58  C59  SING N N 176 
PRD_001099 C58  C60  SING N N 177 
PRD_001099 C58  H93  SING N N 178 
PRD_001099 C59  O14  DOUB N N 179 
PRD_001099 C60  O15  SING N N 180 
PRD_001099 C60  H94  SING N N 181 
PRD_001099 C60  H95  SING N N 182 
PRD_001099 O15  H96  SING N N 183 
PRD_001099 N20  C61  SING N N 184 
PRD_001099 N20  H97  SING N N 185 
PRD_001099 C61  C62  SING N N 186 
PRD_001099 C61  C63  SING N N 187 
PRD_001099 C61  H98  SING N N 188 
PRD_001099 C62  O16  DOUB N N 189 
PRD_001099 C63  C64  SING N N 190 
PRD_001099 C63  H99  SING N N 191 
PRD_001099 C63  H100 SING N N 192 
PRD_001099 C64  C65  SING N N 193 
PRD_001099 C64  C66  SING N N 194 
PRD_001099 C64  H101 SING N N 195 
PRD_001099 C65  H102 SING N N 196 
PRD_001099 C65  H103 SING N N 197 
PRD_001099 C65  H104 SING N N 198 
PRD_001099 C66  H105 SING N N 199 
PRD_001099 C66  H106 SING N N 200 
PRD_001099 C66  H107 SING N N 201 
PRD_001099 N21  C67  SING N N 202 
PRD_001099 N21  H108 SING N N 203 
PRD_001099 C67  C68  SING N N 204 
PRD_001099 C67  H109 SING N N 205 
PRD_001099 C67  H110 SING N N 206 
PRD_001099 C68  O17  DOUB N N 207 
PRD_001099 N22  C69  SING N N 208 
PRD_001099 N22  H111 SING N N 209 
PRD_001099 C69  C70  SING N N 210 
PRD_001099 C69  C71  SING N N 211 
PRD_001099 C69  H112 SING N N 212 
PRD_001099 C70  O18  DOUB N N 213 
PRD_001099 C71  C72  SING N N 214 
PRD_001099 C71  H113 SING N N 215 
PRD_001099 C71  H114 SING N N 216 
PRD_001099 C72  C73  SING N N 217 
PRD_001099 C72  C74  SING N N 218 
PRD_001099 C72  H115 SING N N 219 
PRD_001099 C73  H116 SING N N 220 
PRD_001099 C73  H117 SING N N 221 
PRD_001099 C73  H118 SING N N 222 
PRD_001099 C74  H119 SING N N 223 
PRD_001099 C74  H120 SING N N 224 
PRD_001099 C74  H121 SING N N 225 
PRD_001099 N23  C75  SING N N 226 
PRD_001099 N23  H122 SING N N 227 
PRD_001099 C75  C76  SING N N 228 
PRD_001099 C75  C77  SING N N 229 
PRD_001099 C75  H123 SING N N 230 
PRD_001099 C76  O19  DOUB N N 231 
PRD_001099 C77  C78  SING N N 232 
PRD_001099 C77  H124 SING N N 233 
PRD_001099 C77  H125 SING N N 234 
PRD_001099 C78  C79  SING N N 235 
PRD_001099 C78  C80  SING N N 236 
PRD_001099 C78  H126 SING N N 237 
PRD_001099 C79  H127 SING N N 238 
PRD_001099 C79  H128 SING N N 239 
PRD_001099 C79  H129 SING N N 240 
PRD_001099 C80  H130 SING N N 241 
PRD_001099 C80  H131 SING N N 242 
PRD_001099 C80  H132 SING N N 243 
PRD_001099 N24  C81  SING N N 244 
PRD_001099 N24  H133 SING N N 245 
PRD_001099 C81  C82  SING N N 246 
PRD_001099 C81  H134 SING N N 247 
PRD_001099 C81  H135 SING N N 248 
PRD_001099 C82  O20  DOUB N N 249 
PRD_001099 N25  C83  SING N N 250 
PRD_001099 N25  H136 SING N N 251 
PRD_001099 C83  C84  SING N N 252 
PRD_001099 C83  C85  SING N N 253 
PRD_001099 C83  H137 SING N N 254 
PRD_001099 C84  O21  DOUB N N 255 
PRD_001099 C85  C86  SING N N 256 
PRD_001099 C85  H138 SING N N 257 
PRD_001099 C85  H139 SING N N 258 
PRD_001099 C86  C87  SING N N 259 
PRD_001099 C86  H140 SING N N 260 
PRD_001099 C86  H141 SING N N 261 
PRD_001099 C87  N26  SING N N 262 
PRD_001099 C87  H142 SING N N 263 
PRD_001099 C87  H143 SING N N 264 
PRD_001099 N26  C88  SING N N 265 
PRD_001099 N26  H144 SING N N 266 
PRD_001099 C88  N27  SING N N 267 
PRD_001099 C88  N28  DOUB N N 268 
PRD_001099 N27  H145 SING N N 269 
PRD_001099 N27  H146 SING N N 270 
PRD_001099 N28  H147 SING N N 271 
PRD_001099 N28  H148 SING N N 272 
PRD_001099 N29  C89  SING N N 273 
PRD_001099 N29  H149 SING N N 274 
PRD_001099 C89  C90  SING N N 275 
PRD_001099 C89  C91  SING N N 276 
PRD_001099 C89  H150 SING N N 277 
PRD_001099 C90  O22  DOUB N N 278 
PRD_001099 C91  S4   SING N N 279 
PRD_001099 C91  H151 SING N N 280 
PRD_001099 C91  H152 SING N N 281 
PRD_001099 N30  C92  SING N N 282 
PRD_001099 N30  H153 SING N N 283 
PRD_001099 C92  C93  SING N N 284 
PRD_001099 C92  C94  SING N N 285 
PRD_001099 C92  H154 SING N N 286 
PRD_001099 C93  O23  DOUB N N 287 
PRD_001099 C94  H155 SING N N 288 
PRD_001099 C94  H156 SING N N 289 
PRD_001099 C94  H157 SING N N 290 
PRD_001099 N31  C95  SING N N 291 
PRD_001099 N31  C98  SING N N 292 
PRD_001099 C95  C96  SING N N 293 
PRD_001099 C95  C99  SING N N 294 
PRD_001099 C95  H158 SING N N 295 
PRD_001099 C96  C97  SING N N 296 
PRD_001099 C96  H159 SING N N 297 
PRD_001099 C96  H160 SING N N 298 
PRD_001099 C97  C98  SING N N 299 
PRD_001099 C97  H161 SING N N 300 
PRD_001099 C97  H162 SING N N 301 
PRD_001099 C98  H163 SING N N 302 
PRD_001099 C98  H164 SING N N 303 
PRD_001099 C99  O24  DOUB N N 304 
PRD_001099 N32  C100 SING N N 305 
PRD_001099 N32  H165 SING N N 306 
PRD_001099 C100 C101 SING N N 307 
PRD_001099 C100 C102 SING N N 308 
PRD_001099 C100 H166 SING N N 309 
PRD_001099 C101 O25  DOUB N N 310 
PRD_001099 C102 O26  SING N N 311 
PRD_001099 C102 C103 SING N N 312 
PRD_001099 C102 H167 SING N N 313 
PRD_001099 O26  H168 SING N N 314 
PRD_001099 C103 H169 SING N N 315 
PRD_001099 C103 H170 SING N N 316 
PRD_001099 C103 H171 SING N N 317 
PRD_001099 C105 C104 SING N N 318 
PRD_001099 C105 O29  SING N N 319 
PRD_001099 C104 C117 SING N N 320 
PRD_001099 C117 C116 SING N N 321 
PRD_001099 C116 C115 SING N N 322 
PRD_001099 C115 O28  SING N N 323 
PRD_001099 O28  C114 SING N N 324 
PRD_001099 C114 C112 DOUB Y N 325 
PRD_001099 C114 C113 SING Y N 326 
PRD_001099 C112 C110 SING Y N 327 
PRD_001099 C113 C111 DOUB Y N 328 
PRD_001099 C110 C109 DOUB Y N 329 
PRD_001099 C111 C109 SING Y N 330 
PRD_001099 C109 C108 SING N N 331 
PRD_001099 C108 C107 SING N N 332 
PRD_001099 C107 N33  SING N N 333 
PRD_001099 C107 C106 SING N N 334 
PRD_001099 C106 O27  DOUB N N 335 
PRD_001099 C104 H172 SING N N 336 
PRD_001099 C104 H173 SING N N 337 
PRD_001099 C105 H174 SING N N 338 
PRD_001099 C105 H175 SING N N 339 
PRD_001099 N33  H176 SING N N 340 
PRD_001099 C107 H177 SING N N 341 
PRD_001099 C108 H178 SING N N 342 
PRD_001099 C108 H179 SING N N 343 
PRD_001099 C110 H180 SING N N 344 
PRD_001099 C111 H181 SING N N 345 
PRD_001099 C112 H182 SING N N 346 
PRD_001099 C113 H183 SING N N 347 
PRD_001099 C115 H184 SING N N 348 
PRD_001099 C115 H185 SING N N 349 
PRD_001099 C116 H186 SING N N 350 
PRD_001099 C116 H187 SING N N 351 
PRD_001099 C117 H188 SING N N 352 
PRD_001099 C117 H189 SING N N 353 
PRD_001099 O29  H190 SING N N 354 
PRD_001099 N34  C118 SING N N 355 
PRD_001099 N34  H191 SING N N 356 
PRD_001099 C118 C119 SING N N 357 
PRD_001099 C118 C120 SING N N 358 
PRD_001099 C118 H192 SING N N 359 
PRD_001099 C119 O30  DOUB N N 360 
PRD_001099 C120 S5   SING N N 361 
PRD_001099 C120 H193 SING N N 362 
PRD_001099 C120 H194 SING N N 363 
PRD_001099 N35  C121 SING N N 364 
PRD_001099 N35  H195 SING N N 365 
PRD_001099 C121 C122 SING N N 366 
PRD_001099 C121 C123 SING N N 367 
PRD_001099 C121 H196 SING N N 368 
PRD_001099 C122 O31  DOUB N N 369 
PRD_001099 C123 H197 SING N N 370 
PRD_001099 C123 H198 SING N N 371 
PRD_001099 C123 H199 SING N N 372 
PRD_001099 N36  C124 SING N N 373 
PRD_001099 N36  H200 SING N N 374 
PRD_001099 C124 C125 SING N N 375 
PRD_001099 C124 C126 SING N N 376 
PRD_001099 C124 H201 SING N N 377 
PRD_001099 C125 O32  DOUB N N 378 
PRD_001099 C126 S6   SING N N 379 
PRD_001099 C126 H202 SING N N 380 
PRD_001099 C126 H203 SING N N 381 
PRD_001099 N37  C127 SING N N 382 
PRD_001099 N37  H204 SING N N 383 
PRD_001099 C127 C128 SING N N 384 
PRD_001099 C127 C129 SING N N 385 
PRD_001099 C127 H205 SING N N 386 
PRD_001099 C128 O33  DOUB N N 387 
PRD_001099 C129 C130 SING N N 388 
PRD_001099 C129 C131 SING N N 389 
PRD_001099 C129 H206 SING N N 390 
PRD_001099 C130 H207 SING N N 391 
PRD_001099 C130 H208 SING N N 392 
PRD_001099 C130 H209 SING N N 393 
PRD_001099 C131 H210 SING N N 394 
PRD_001099 C131 H211 SING N N 395 
PRD_001099 C131 H212 SING N N 396 
PRD_001099 N38  H213 SING N N 397 
PRD_001099 N38  H214 SING N N 398 
PRD_001099 C2   N1   SING N N 399 
PRD_001099 S1   S4   SING N N 400 
PRD_001099 C5   N3   SING N N 401 
PRD_001099 C9   N4   SING N N 402 
PRD_001099 C15  N7   SING N N 403 
PRD_001099 C21  N8   SING N N 404 
PRD_001099 C30  N9   SING N N 405 
PRD_001099 S2   S5   SING N N 406 
PRD_001099 C33  N11  SING N N 407 
PRD_001099 C38  N12  SING N N 408 
PRD_001099 C44  N16  SING N N 409 
PRD_001099 C50  N17  SING N N 410 
PRD_001099 S3   S6   SING N N 411 
PRD_001099 C53  N19  SING N N 412 
PRD_001099 C59  N20  SING N N 413 
PRD_001099 C62  N21  SING N N 414 
PRD_001099 C68  N22  SING N N 415 
PRD_001099 C70  N23  SING N N 416 
PRD_001099 C76  N24  SING N N 417 
PRD_001099 C82  N25  SING N N 418 
PRD_001099 C84  N29  SING N N 419 
PRD_001099 C90  N30  SING N N 420 
PRD_001099 C93  N31  SING N N 421 
PRD_001099 C99  N32  SING N N 422 
PRD_001099 C101 N33  SING N N 423 
PRD_001099 C106 N34  SING N N 424 
PRD_001099 C119 N35  SING N N 425 
PRD_001099 C122 N36  SING N N 426 
PRD_001099 C125 N37  SING N N 427 
PRD_001099 C128 N38  SING N N 428 
# 
loop_
_pdbx_chem_comp_descriptor.comp_id 
_pdbx_chem_comp_descriptor.type 
_pdbx_chem_comp_descriptor.program 
_pdbx_chem_comp_descriptor.program_version 
_pdbx_chem_comp_descriptor.descriptor 
PRD_001099 InChI            InChI                1.03  
;InChI=1S/C131H210N38O33S6/c1-66(2)47-83-108(180)143-57-102(176)148-79(30-24-41-141-130(136)137)110(182)163-93-60-204-203-46-39-101(175)149-91(55-100(134)174)120(192)157-87(51-70(9)10)116(188)159-90(54-77-56-140-65-145-77)119(191)158-88(52-75-27-18-16-19-28-75)117(189)166-96-63-207-205-61-94(165-118(190)89(53-76-33-35-78(36-34-76)202-45-23-17-22-44-170)160-128(200)105(74(15)172)168-127(199)98-32-26-43-169(98)129(201)73(14)147-123(93)195)122(194)146-72(13)107(179)162-97(126(198)167-104(71(11)12)106(135)178)64-208-206-62-95(164-112(184)81(31-25-42-142-131(138)139)151-115(187)86(50-69(7)8)156-113(185)82(153-125(96)197)37-38-99(133)173)124(196)152-80(29-20-21-40-132)111(183)161-92(59-171)121(193)155-84(48-67(3)4)109(181)144-58-103(177)150-85(49-68(5)6)114(186)154-83/h16,18-19,27-28,33-36,56,65-74,79-98,104-105,170-172H,17,20-26,29-32,37-55,57-64,132H2,1-15H3,(H2,133,173)(H2,134,174)(H2,135,178)(H,140,145)(H,143,180)(H,144,181)(H,146,194)(H,147,195)(H,148,176)(H,149,175)(H,150,177)(H,151,187)(H,152,196)(H,153,197)(H,154,186)(H,155,193)(H,156,185)(H,157,192)(H,158,191)(H,159,188)(H,160,200)(H,161,183)(H,162,179)(H,163,182)(H,164,184)(H,165,190)(H,166,189)(H,167,198)(H,168,199)(H4,136,137,141)(H4,138,139,142)/p+4/t72-,73-,74+,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98+,104-,105-/m0/s1
;
PRD_001099 InChIKey         InChI                1.03  HIGVWSFVMPBWPZ-NEYLYBLFSA-R 
PRD_001099 SMILES_CANONICAL CACTVS               3.370 "CC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc5c[nH]c[nH+]5)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CCSSC[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CNC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](C)C(=O)N6CCC[C@@H]6C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc7ccc(OCCCCCO)cc7)C(=O)N3)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N2)C(=O)N[C@@H](C(C)C)C(N)=O" 
PRD_001099 SMILES           CACTVS               3.370 "CC(C)C[CH]1NC(=O)CNC(=O)[CH](CC(C)C)NC(=O)[CH](CO)NC(=O)[CH](CCCC[NH3+])NC(=O)[CH]2CSSC[CH](NC(=O)[CH](C)NC(=O)[CH]3CSSC[CH](NC(=O)[CH](Cc4ccccc4)NC(=O)[CH](Cc5c[nH]c[nH+]5)NC(=O)[CH](CC(C)C)NC(=O)[CH](CC(N)=O)NC(=O)CCSSC[CH](NC(=O)[CH](CCCNC(N)=[NH2+])NC(=O)CNC(=O)[CH](CC(C)C)NC1=O)C(=O)N[CH](C)C(=O)N6CCC[CH]6C(=O)N[CH]([CH](C)O)C(=O)N[CH](Cc7ccc(OCCCCCO)cc7)C(=O)N3)C(=O)N[CH](CCC(N)=O)C(=O)N[CH](CC(C)C)C(=O)N[CH](CCCNC(N)=[NH2+])C(=O)N2)C(=O)N[CH](C(C)C)C(N)=O" 
PRD_001099 SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 "C[C@H]1C(=O)N[C@@H](CSSC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H]3CSSCCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]4CCCN4C(=O)[C@@H](NC3=O)C)[C@@H](C)O)Cc5ccc(cc5)OCCCCCO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CCCNC(=[NH2+])N)CC(C)C)CCC(=O)N)Cc6ccccc6)Cc7c[nH]c[nH+]7)CC(C)C)CC(=O)N)CCCNC(=[NH2+])N)CC(C)C)CC(C)C)CC(C)C)CO)CCCC[NH3+])C(=O)N[C@@H](C(C)C)C(=O)N" 
PRD_001099 SMILES           "OpenEye OEToolkits" 1.7.6 "CC1C(=O)NC(CSSCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC3CSSCCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)N1)NC(=O)C(NC(=O)C(NC(=O)C4CCCN4C(=O)C(NC3=O)C)C(C)O)Cc5ccc(cc5)OCCCCCO)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CCCNC(=[NH2+])N)CC(C)C)CCC(=O)N)Cc6ccccc6)Cc7c[nH]c[nH+]7)CC(C)C)CC(=O)N)CCCNC(=[NH2+])N)CC(C)C)CC(C)C)CC(C)C)CO)CCCC[NH3+])C(=O)NC(C(C)C)C(=O)N" 
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